5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

C16H10Cl2FN3O — CID 73254444

IUPAC5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H10Cl2FN3O/c17-13-8-10(6-7-14(13)19)21-16(23)12-9-20-22(15(12)18)11-4-2-1-3-5-11/h1-9H,(H,21,23)
InChIKeyNWDUKULOWCAZMT-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 73254444) has the molecular formula C16H10Cl2FN3O and a molecular weight of 350.18 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID73254444
Molecular FormulaC16H10Cl2FN3O
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC Name5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H10Cl2FN3O/c17-13-8-10(6-7-14(13)19)21-16(23)12-9-20-22(15(12)18)11-4-2-1-3-5-11/h1-9H,(H,21,23)
InChIKeyNWDUKULOWCAZMT-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110702378
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N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
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N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
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5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
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N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
N-(4-chloro-3-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
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CID 81225961

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (CID 73254444) is 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is NWDUKULOWCAZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O/c17-13-8-10(6-7-14(13)19)21-16(23)12-9-20-22(15(12)18)11-4-2-1-3-5-11/h1-9H,(H,21,23).
What are the key properties of 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 350.18 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 73254444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).