2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide

C12H8Cl2N4O — CID 155568071

IUPAC2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
SMILESN#CCC(=O)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)
InChIKeyZZHVSXAXUYZGQM-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.03
Rot. Bonds3

About 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide

2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide (PubChem CID 155568071) has the molecular formula C12H8Cl2N4O and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
PubChem CID155568071
Molecular FormulaC12H8Cl2N4O
Molecular Weight295.13 g/mol
Exact Mass294.01
IUPAC Name2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
SMILESN#CCC(=O)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)
InChIKeyZZHVSXAXUYZGQM-UHFFFAOYSA-N
XLogP3.03
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
CID 99123185
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
CID 168524089
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
2-N-[1-(4-chlorophenyl)pyrazol-3-yl]pyridine-2,4-dicarboxamide
CID 167891870
N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 135315811

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide (CID 155568071) is 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide is N#CCC(=O)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is ZZHVSXAXUYZGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19).
What are the key properties of 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide?
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 295.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 155568071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).