N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide

C16H12ClN3O — CID 141029463

IUPACN-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3O/c17-13-6-8-14(9-7-13)18-16(21)20-11-10-15(19-20)12-4-2-1-3-5-12/h1-11H,(H,18,21)
InChIKeyVQCLPNWJQIBYFH-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.28
Rot. Bonds2

About N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide

N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide (PubChem CID 141029463) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide
PubChem CID141029463
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3O/c17-13-6-8-14(9-7-13)18-16(21)20-11-10-15(19-20)12-4-2-1-3-5-12/h1-11H,(H,18,21)
InChIKeyVQCLPNWJQIBYFH-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150131
N-(4-chlorophenyl)-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7531190
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
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1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1492949
1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea
CID 156824810
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576
3-(4-chlorophenyl)-4-phenyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-1-carboxamide
CID 57078314
N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide (CID 141029463) is N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide is O=C(Nc1ccc(Cl)cc1)n1ccc(-c2ccccc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide?
The InChIKey is VQCLPNWJQIBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-6-8-14(9-7-13)18-16(21)20-11-10-15(19-20)12-4-2-1-3-5-12/h1-11H,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide?
N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 141029463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).