3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C17H13F2N3O — CID 46944140

IUPAC3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H13F2N3O/c1-10-8-12(19)4-7-14(10)15-9-16(22-21-15)17(23)20-13-5-2-11(18)3-6-13/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyPYEGJHGTQQCXQH-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.92
Rot. Bonds3

About 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46944140) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46944140
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H13F2N3O/c1-10-8-12(19)4-7-14(10)15-9-16(22-21-15)17(23)20-13-5-2-11(18)3-6-13/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyPYEGJHGTQQCXQH-UHFFFAOYSA-N
XLogP3.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 46944140) is 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1cc(F)ccc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PYEGJHGTQQCXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-10-8-12(19)4-7-14(10)15-9-16(22-21-15)17(23)20-13-5-2-11(18)3-6-13/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46944140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).