Name: Name:1H-Pyrazole-4-carbonitrile, 3-amino-5-[3-(methylamino)propyl]-
Brand: Angene
SKU: AG019J4A
Rating: 90 (10 reviews)

1H-Pyrazole-4-carbonitrile, 3-amino-5-[3-(methylamino)propyl]-

CAS No.:

113513-30-7

Catalog Number:

AG019J4A

Molecular Formula:

C8H13N5

Molecular Weight:

179.2223

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG019J4A

Chemical Name:

1H-Pyrazole-4-carbonitrile, 3-amino-5-[3-(methylamino)propyl]-

CAS Number:

113513-30-7

Molecular Formula:

C8H13N5

Molecular Weight:

179.2223

MDL Number:

MFCD05263126

IUPAC Name:

3-amino-5-[3-(methylamino)propyl]-1H-pyrazole-4-carbonitrile

InChI:

InChI=1S/C8H13N5/c1-11-4-2-3-7-6(5-9)8(10)13-12-7/h11H,2-4H2,1H3,(H3,10,12,13)

InChI Key:

FJYUWIMEBHUCPT-UHFFFAOYSA-N

SMILES:

CNCCCc1n[nH]c(c1C#N)N

Properties

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.227g/mol

Monoisotopic Mass:

179.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501