1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

C21H18Cl2N4O2 — CID 55872180

IUPAC1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C21H18Cl2N4O2/c22-15-4-3-5-17(10-15)27-13-14(12-24-27)20(28)25-19-7-6-16(23)11-18(19)21(29)26-8-1-2-9-26/h3-7,10-13H,1-2,8-9H2,(H,25,28)
InChIKeyHQOVDIBRRSNEHH-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.67
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55872180) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
PubChem CID55872180
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC Name1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C21H18Cl2N4O2/c22-15-4-3-5-17(10-15)27-13-14(12-24-27)20(28)25-19-7-6-16(23)11-18(19)21(29)26-8-1-2-9-26/h3-7,10-13H,1-2,8-9H2,(H,25,28)
InChIKeyHQOVDIBRRSNEHH-UHFFFAOYSA-N
XLogP4.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 1313581
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55876833
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
1-(3-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazole-4-carboxamide
CID 55874321
N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 119481502
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (CID 55872180) is 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is HQOVDIBRRSNEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c22-15-4-3-5-17(10-15)27-13-14(12-24-27)20(28)25-19-7-6-16(23)11-18(19)21(29)26-8-1-2-9-26/h3-7,10-13H,1-2,8-9H2,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55872180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).