N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide

C19H18FN3O — CID 18116117

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18FN3O/c1-2-22(13-15-7-6-8-17(20)11-15)19(24)16-12-21-23(14-16)18-9-4-3-5-10-18/h3-12,14H,2,13H2,1H3
InChIKeyBKZSVIHMHSMXML-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 18116117) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID18116117
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18FN3O/c1-2-22(13-15-7-6-8-17(20)11-15)19(24)16-12-21-23(14-16)18-9-4-3-5-10-18/h3-12,14H,2,13H2,1H3
InChIKeyBKZSVIHMHSMXML-UHFFFAOYSA-N
XLogP3.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-N-ethyl-N-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 18132117
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 46471508
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 18116117) is N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is BKZSVIHMHSMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-22(13-15-7-6-8-17(20)11-15)19(24)16-12-21-23(14-16)18-9-4-3-5-10-18/h3-12,14H,2,13H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18116117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).