1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C17H12F3N3O — CID 25468256

IUPAC1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-6-8-14(9-7-13)22-16(24)12-10-21-23(11-12)15-4-2-1-3-5-15/h1-11H,(H,22,24)
InChIKeyHKSFTUAVMQOWAY-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.14
Rot. Bonds3

About 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 25468256) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID25468256
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-6-8-14(9-7-13)22-16(24)12-10-21-23(11-12)15-4-2-1-3-5-15/h1-11H,(H,22,24)
InChIKeyHKSFTUAVMQOWAY-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 25468256) is 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is HKSFTUAVMQOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)13-6-8-14(9-7-13)22-16(24)12-10-21-23(11-12)15-4-2-1-3-5-15/h1-11H,(H,22,24).
What are the key properties of 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 25468256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).