1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide

C17H11ClFN3O2 — CID 712132

IUPAC1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccn(C(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H11ClFN3O2/c18-12-5-3-4-11(10-12)17(24)22-9-8-15(21-22)16(23)20-14-7-2-1-6-13(14)19/h1-10H,(H,20,23)
InChIKeyUXCXLKBAHLAWQF-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide

1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 712132) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID712132
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccn(C(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C17H11ClFN3O2/c18-12-5-3-4-11(10-12)17(24)22-9-8-15(21-22)16(23)20-14-7-2-1-6-13(14)19/h1-10H,(H,20,23)
InChIKeyUXCXLKBAHLAWQF-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide (CID 712132) is 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1ccn(C(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is UXCXLKBAHLAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-12-5-3-4-11(10-12)17(24)22-9-8-15(21-22)16(23)20-14-7-2-1-6-13(14)19/h1-10H,(H,20,23).
What are the key properties of 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide?
1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 343.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 712132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).