1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide

C15H10Cl2N4O — CID 68934305

IUPAC1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H10Cl2N4O/c16-11-4-5-13(12(17)7-11)21-9-10(8-19-21)15(22)20-14-3-1-2-6-18-14/h1-9H,(H,18,20,22)
InChIKeyCUMLXTPZVNTKFR-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.83
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide

1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 68934305) has the molecular formula C15H10Cl2N4O and a molecular weight of 333.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID68934305
Molecular FormulaC15H10Cl2N4O
Molecular Weight333.18 g/mol
Exact Mass332.02
IUPAC Name1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H10Cl2N4O/c16-11-4-5-13(12(17)7-11)21-9-10(8-19-21)15(22)20-14-3-1-2-6-18-14/h1-9H,(H,18,20,22)
InChIKeyCUMLXTPZVNTKFR-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
1-(2-chlorophenyl)-N-(2-methoxy-3-pyridinyl)pyrazole-4-carboxamide
CID 49161240
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
CID 71844386
methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate
CID 175358972
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide (CID 68934305) is 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide is O=C(Nc1ccccn1)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is CUMLXTPZVNTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O/c16-11-4-5-13(12(17)7-11)21-9-10(8-19-21)15(22)20-14-3-1-2-6-18-14/h1-9H,(H,18,20,22).
What are the key properties of 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide?
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 333.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 68934305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).