3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide

C16H12ClN3O — CID 11231810

IUPAC3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(-c2cccc(-c3ccccc3Cl)c2)n1
InChIInChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21)
InChIKeyYLOSMBNWBNXQNK-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.80
Rot. Bonds2

About 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide

3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide (PubChem CID 11231810) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide
PubChem CID11231810
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(-c2cccc(-c3ccccc3Cl)c2)n1
InChIInChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21)
InChIKeyYLOSMBNWBNXQNK-UHFFFAOYSA-N
XLogP3.80
TPSA60.91 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2''-chlorobiphenyl-4-yl)-1H-pyrazole-1-carboxamide
CID 49866005
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
5-(4-Chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide
CID 155805994
US10562887, Example 177
CID 132169390
US10611730, Example 173
CID 155295377
US10611730, Example 177
CID 155295381
US10611730, Example 185
CID 155295389
5-(4-Chlorophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 155810356
3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 155813513
5-(4-Chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carboxamide
CID 155816604
3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171342367
3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 171343938

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide?
The IUPAC name of 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide (CID 11231810) is 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide is NC(=O)n1ccc(-c2cccc(-c3ccccc3Cl)c2)n1.
What is the InChIKey of 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide?
The InChIKey is YLOSMBNWBNXQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21).
What are the key properties of 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide?
3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 11231810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).