1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide

C17H12ClN3O2 — CID 3689692

IUPAC1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C17H12ClN3O2/c18-14-9-5-4-8-13(14)17(23)21-11-10-15(20-21)16(22)19-12-6-2-1-3-7-12/h1-11H,(H,19,22)
InChIKeyYUUQESQLGBFGFM-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.48
Rot. Bonds3

About 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide

1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide (PubChem CID 3689692) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide
PubChem CID3689692
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C17H12ClN3O2/c18-14-9-5-4-8-13(14)17(23)21-11-10-15(20-21)16(22)19-12-6-2-1-3-7-12/h1-11H,(H,19,22)
InChIKeyYUUQESQLGBFGFM-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide (CID 3689692) is 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is YUUQESQLGBFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-14-9-5-4-8-13(14)17(23)21-11-10-15(20-21)16(22)19-12-6-2-1-3-7-12/h1-11H,(H,19,22).
What are the key properties of 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide?
1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 3689692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).