3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

C14H16N4O2 — CID 115594898

IUPAC3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1
InChIInChI=1S/C14H16N4O2/c1-8-9(2)17-18-13(8)16-14(20)11-5-4-6-12(7-11)15-10(3)19/h4-7H,1-3H3,(H,15,19)(H2,16,17,18,20)
InChIKeyNFQXUVPOJXZVOO-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.24
Rot. Bonds3

About 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 115594898) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
PubChem CID115594898
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1
InChIInChI=1S/C14H16N4O2/c1-8-9(2)17-18-13(8)16-14(20)11-5-4-6-12(7-11)15-10(3)19/h4-7H,1-3H3,(H,15,19)(H2,16,17,18,20)
InChIKeyNFQXUVPOJXZVOO-UHFFFAOYSA-N
XLogP2.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 115610262
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (CID 115594898) is 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1.
What is the InChIKey of 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is NFQXUVPOJXZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-9(2)17-18-13(8)16-14(20)11-5-4-6-12(7-11)15-10(3)19/h4-7H,1-3H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 272.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115594898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).