N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide

C12H12N4O2 — CID 778152

IUPACN-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C12H12N4O2/c1-8-7-10(16-15-8)13-12(18)14-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14,15,16,17,18)
InChIKeyUBWZWOXRRYDEPN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.68
Rot. Bonds2

About N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide

N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide (PubChem CID 778152) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
PubChem CID778152
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C12H12N4O2/c1-8-7-10(16-15-8)13-12(18)14-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14,15,16,17,18)
InChIKeyUBWZWOXRRYDEPN-UHFFFAOYSA-N
XLogP1.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 99835736
1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 63818723
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47289765
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
N-(5-methyl-1H-pyrazol-3-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 63819414

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide (CID 778152) is N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
The InChIKey is UBWZWOXRRYDEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-7-10(16-15-8)13-12(18)14-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14,15,16,17,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide?
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide is sourced from PubChem (CID 778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).