2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide

C22H16ClN3O — CID 2818849

IUPAC2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)22(27)24-21-15-20(16-9-3-1-4-10-16)25-26(21)17-11-5-2-6-12-17/h1-15H,(H,24,27)
InChIKeyIBNQBFUQMVEVQX-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.45
Rot. Bonds4

About 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide

2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide (PubChem CID 2818849) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide
PubChem CID2818849
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)22(27)24-21-15-20(16-9-3-1-4-10-16)25-26(21)17-11-5-2-6-12-17/h1-15H,(H,24,27)
InChIKeyIBNQBFUQMVEVQX-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide (CID 2818849) is 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
The InChIKey is IBNQBFUQMVEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)22(27)24-21-15-20(16-9-3-1-4-10-16)25-26(21)17-11-5-2-6-12-17/h1-15H,(H,24,27).
What are the key properties of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide?
2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide has a molecular weight of 373.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-diphenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 2818849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).