1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide

C12H10ClN3O2 — CID 64780381

IUPAC1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)c1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c1-7(17)8-2-3-11(9(13)6-8)16-5-4-10(15-16)12(14)18/h2-6H,1H3,(H2,14,18)
InChIKeyJMTUDSSVAVNXED-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.83
Rot. Bonds3

About 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide

1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide (PubChem CID 64780381) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
PubChem CID64780381
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)c1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c1-7(17)8-2-3-11(9(13)6-8)16-5-4-10(15-16)12(14)18/h2-6H,1H3,(H2,14,18)
InChIKeyJMTUDSSVAVNXED-UHFFFAOYSA-N
XLogP1.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Chloro-phenyl)-(2-methyl-2H-pyrazol-3-yl)-methanone
CID 603786
1-[4-benzoyl-1-(4-chlorophenyl)-1H-pyrazol-3-yl]ethanone
CID 902112
4-chloro-N-methyl-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1479659
4-[4-(4-Chlorophenyl)pyrazol-1-yl]benzamide
CID 127027294
1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-one
CID 12238134
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 1246886
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide
CID 9117005
N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 4637238
1-(3-chlorobenzoyl)-N-(2-chlorophenyl)-1H-pyrazole-3-carboxamide
CID 1371065
4-chloro-1-methyl-N-phenacylpyrazole-3-carboxamide
CID 892313
1-(4-formylphenyl)-1H-pyrazole-3-carboxamide
CID 64781350
1-(3-chlorobenzoyl)-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 712132

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide (CID 64780381) is 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide is CC(=O)c1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1.
What is the InChIKey of 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide?
The InChIKey is JMTUDSSVAVNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7(17)8-2-3-11(9(13)6-8)16-5-4-10(15-16)12(14)18/h2-6H,1H3,(H2,14,18).
What are the key properties of 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide?
1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide has a molecular weight of 263.68 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64780381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).