1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide

C12H9Cl2N3O2 — CID 754454

IUPAC1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)n1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-7(18)17-5-4-11(16-17)12(19)15-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H,15,19)
InChIKeyGVIVEDRRSURQSE-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.10
Rot. Bonds2

About 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide

1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide (PubChem CID 754454) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide
PubChem CID754454
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)n1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-7(18)17-5-4-11(16-17)12(19)15-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H,15,19)
InChIKeyGVIVEDRRSURQSE-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
N-(2,5-dichlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 840311
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N-(3,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1224613
N-(2,5-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 3235652
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
3-N-(2-chloro-4-fluorophenyl)-1-N-pentylpyrazole-1,3-dicarboxamide
CID 68436207
4-chloro-N-(2,5-dichlorophenyl)-2-ethyl-3-pyrazolecarboxamide
CID 891805
4-bromo-N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1301790

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide (CID 754454) is 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide is CC(=O)n1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is GVIVEDRRSURQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-7(18)17-5-4-11(16-17)12(19)15-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H,15,19).
What are the key properties of 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide?
1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,4-dichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 754454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).