5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide

C19H18FN3O — CID 31853768

IUPAC5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-3-18-17(19(24)22(2)15-7-5-4-6-8-15)13-21-23(18)16-11-9-14(20)10-12-16/h4-13H,3H2,1-2H3
InChIKeyUGLDBTFWQMOVJX-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.85
Rot. Bonds4

About 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide (PubChem CID 31853768) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide
PubChem CID31853768
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-3-18-17(19(24)22(2)15-7-5-4-6-8-15)13-21-23(18)16-11-9-14(20)10-12-16/h4-13H,3H2,1-2H3
InChIKeyUGLDBTFWQMOVJX-UHFFFAOYSA-N
XLogP3.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide (CID 31853768) is 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is UGLDBTFWQMOVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-3-18-17(19(24)22(2)15-7-5-4-6-8-15)13-21-23(18)16-11-9-14(20)10-12-16/h4-13H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-methyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 31853768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).