Name: Name:5-amino-N-(2-methoxyphenyl)-3-methyl-1H-pyrazole-4-carboxamide
Brand: Angene
SKU: AG019OLG
Rating: 90 (10 reviews)

5-amino-N-(2-methoxyphenyl)-3-methyl-1H-pyrazole-4-carboxamide

CAS No.:

1042767-98-5

Catalog Number:

AG019OLG

Molecular Formula:

C12H14N4O2

Molecular Weight:

246.2652

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Product Description

Catalog Number:

AG019OLG

Chemical Name:

5-amino-N-(2-methoxyphenyl)-3-methyl-1H-pyrazole-4-carboxamide

CAS Number:

1042767-98-5

Molecular Formula:

C12H14N4O2

Molecular Weight:

246.2652

MDL Number:

MFCD07339542

IUPAC Name:

3-amino-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

InChI:

InChI=1S/C12H14N4O2/c1-7-10(11(13)16-15-7)12(17)14-8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,17)(H3,13,15,16)

InChI Key:

WGRLEFRRTDPIJF-UHFFFAOYSA-N

SMILES:

COc1ccccc1NC(=O)c1c(N)[nH]nc1C

Properties

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.27g/mol

Monoisotopic Mass:

246.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

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