5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide

C19H16F3N3O — CID 55794460

IUPAC5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C19H16F3N3O/c1-13-12-16(24-25(13)15-10-6-3-7-11-15)18(26)23-17(19(20,21)22)14-8-4-2-5-9-14/h2-12,17H,1H3,(H,23,26)
InChIKeyYJGCJIPFCXDLMG-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.21
Rot. Bonds4

About 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide

5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide (PubChem CID 55794460) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
PubChem CID55794460
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C19H16F3N3O/c1-13-12-16(24-25(13)15-10-6-3-7-11-15)18(26)23-17(19(20,21)22)14-8-4-2-5-9-14/h2-12,17H,1H3,(H,23,26)
InChIKeyYJGCJIPFCXDLMG-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.21
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 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide (CID 55794460) is 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC(c2ccccc2)C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is YJGCJIPFCXDLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-13-12-16(24-25(13)15-10-6-3-7-11-15)18(26)23-17(19(20,21)22)14-8-4-2-5-9-14/h2-12,17H,1H3,(H,23,26).
What are the key properties of 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide?
5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55794460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).