2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide

C11H12N4O — CID 134387946

IUPAC2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
SMILESCNc1ccc(-c2cn[nH]c2)cc1C(N)=O
InChIInChI=1S/C11H12N4O/c1-13-10-3-2-7(4-9(10)11(12)16)8-5-14-15-6-8/h2-6,13H,1H3,(H2,12,16)(H,14,15)
InChIKeyGINBEIGTNSFZQU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.22
Rot. Bonds3

About 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide

2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide (PubChem CID 134387946) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
PubChem CID134387946
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide
SMILESCNc1ccc(-c2cn[nH]c2)cc1C(N)=O
InChIInChI=1S/C11H12N4O/c1-13-10-3-2-7(4-9(10)11(12)16)8-5-14-15-6-8/h2-6,13H,1H3,(H2,12,16)(H,14,15)
InChIKeyGINBEIGTNSFZQU-UHFFFAOYSA-N
XLogP1.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815729
2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136218660
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
2-cyclopropyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136030688
2-[(1S)-1-amino-2-phenylethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136241014
3-benzyl-7-fluoro-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594106
N-(4-fluorophenyl)-3-[[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]methyl]benzamide
CID 155594113
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CID 118720606
1-ethyl-2,2-dimethyl-7-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 127048046
2-[(3S,4R)-1,1-dimethyl-4-phenylpyrrolidin-1-ium-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136240901

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide (CID 134387946) is 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide is CNc1ccc(-c2cn[nH]c2)cc1C(N)=O.
What is the InChIKey of 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide?
The InChIKey is GINBEIGTNSFZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-13-10-3-2-7(4-9(10)11(12)16)8-5-14-15-6-8/h2-6,13H,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide?
2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 134387946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).