N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C24H20FN3O — CID 997166

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H20FN3O/c1-17-22(24(29)26-16-18-12-14-20(25)15-13-18)23(19-8-4-2-5-9-19)27-28(17)21-10-6-3-7-11-21/h2-15H,16H2,1H3,(H,26,29)
InChIKeyKEHQSGVDLMQFOR-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.92
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 997166) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID997166
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H20FN3O/c1-17-22(24(29)26-16-18-12-14-20(25)15-13-18)23(19-8-4-2-5-9-19)27-28(17)21-10-6-3-7-11-21/h2-15H,16H2,1H3,(H,26,29)
InChIKeyKEHQSGVDLMQFOR-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 997166) is N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is KEHQSGVDLMQFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-17-22(24(29)26-16-18-12-14-20(25)15-13-18)23(19-8-4-2-5-9-19)27-28(17)21-10-6-3-7-11-21/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 997166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).