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

C19H18FN3O — CID 2121401

IUPACN-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-13-18(14(2)23(22-13)17-6-4-3-5-7-17)19(24)21-12-15-8-10-16(20)11-9-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyBHODCZLKMSHQNW-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.56
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2121401) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID2121401
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-13-18(14(2)23(22-13)17-6-4-3-5-7-17)19(24)21-12-15-8-10-16(20)11-9-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyBHODCZLKMSHQNW-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.56
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]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 2121401) is N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is BHODCZLKMSHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-18(14(2)23(22-13)17-6-4-3-5-7-17)19(24)21-12-15-8-10-16(20)11-9-15/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2121401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).