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

C12H10ClN3O2 — CID 64782909

IUPAC1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c1-7(17)8-2-3-11(10(13)4-8)16-6-9(5-15-16)12(14)18/h2-6H,1H3,(H2,14,18)
InChIKeyIYNOUJYSVFHJKA-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.83
Rot. Bonds3

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

1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 64782909) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
PubChem CID64782909
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c1-7(17)8-2-3-11(10(13)4-8)16-6-9(5-15-16)12(14)18/h2-6H,1H3,(H2,14,18)
InChIKeyIYNOUJYSVFHJKA-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide (CID 64782909) is 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide is CC(=O)c1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1.
What is the InChIKey of 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is IYNOUJYSVFHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7(17)8-2-3-11(10(13)4-8)16-6-9(5-15-16)12(14)18/h2-6H,1H3,(H2,14,18).
What are the key properties of 1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide?
1-(4-acetyl-2-chlorophenyl)pyrazole-4-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-4-carboxamide is sourced from PubChem (CID 64782909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).