1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C18H13F4N3O — CID 10361328

IUPAC1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H13F4N3O/c1-11-16(10-23-25(11)15-8-4-13(19)5-9-15)17(26)24-14-6-2-12(3-7-14)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyOVMZSZKEUOQPIP-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.59
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 10361328) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID10361328
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H13F4N3O/c1-11-16(10-23-25(11)15-8-4-13(19)5-9-15)17(26)24-14-6-2-12(3-7-14)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyOVMZSZKEUOQPIP-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 10361328) is 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is OVMZSZKEUOQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-11-16(10-23-25(11)15-8-4-13(19)5-9-15)17(26)24-14-6-2-12(3-7-14)18(20,21)22/h2-10H,1H3,(H,24,26).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 10361328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).