Name: Name:(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
Brand: Angene
SKU: AG01EJDM
Rating: 90 (10 reviews)

(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine

CAS No.:

1009486-61-6

Catalog Number:

AG01EJDM

Molecular Formula:

C11H13N3

Molecular Weight:

187.2410

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Purity

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Product Description

Catalog Number:

AG01EJDM

Chemical Name:

(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine

CAS Number:

1009486-61-6

Molecular Formula:

C11H13N3

Molecular Weight:

187.2410

MDL Number:

MFCD07402323

IUPAC Name:

(2-methylpyrazol-3-yl)-phenylmethanamine

InChI:

InChI=1S/C11H13N3/c1-14-10(7-8-13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3

InChI Key:

VKNRMXMAIWNLNK-UHFFFAOYSA-N

SMILES:

Cn1nccc1C(c1ccccc1)N

Properties

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.246g/mol

Monoisotopic Mass:

187.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

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