N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide

C25H23FN4O — CID 57467732

IUPACN-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H23FN4O/c1-3-30-24(25(31)29(2)17-18-7-5-4-6-8-18)22(19-13-15-27-16-14-19)23(28-30)20-9-11-21(26)12-10-20/h4-16H,3,17H2,1-2H3
InChIKeyZMJVBKCPPMXHGY-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.04
Rot. Bonds6

About N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide

N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 57467732) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID57467732
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC NameN-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H23FN4O/c1-3-30-24(25(31)29(2)17-18-7-5-4-6-8-18)22(19-13-15-27-16-14-19)23(28-30)20-9-11-21(26)12-10-20/h4-16H,3,17H2,1-2H3
InChIKeyZMJVBKCPPMXHGY-UHFFFAOYSA-N
XLogP5.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-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

4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
CID 66122905
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-8-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53189002
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
benzyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazole-1-carboxylate
CID 69409299
N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 42571411
N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 42879111
N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide
CID 166387772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide (CID 57467732) is N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide is CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is ZMJVBKCPPMXHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-3-30-24(25(31)29(2)17-18-7-5-4-6-8-18)22(19-13-15-27-16-14-19)23(28-30)20-9-11-21(26)12-10-20/h4-16H,3,17H2,1-2H3.
What are the key properties of N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide?
N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 57467732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).