Name: Name:5-amino-3-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
Brand: Angene
SKU: AG00HC78
Rating: 90 (10 reviews)

5-amino-3-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile

CAS No.:

1119391-48-8

Catalog Number:

AG00HC78

Molecular Formula:

C8H11N5

Molecular Weight:

177.2064

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00HC78

Chemical Name:

5-amino-3-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile

CAS Number:

1119391-48-8

Molecular Formula:

C8H11N5

Molecular Weight:

177.2064

MDL Number:

MFCD07325241

IUPAC Name:

5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile

InChI:

InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)

InChI Key:

RQDSNKYYHIZWJX-UHFFFAOYSA-N

SMILES:

N#Cc1c(n[nH]c1N)N1CCCC1

Properties

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.211g/mol

Monoisotopic Mass:

177.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101