1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C24H27FN4O — CID 38740973

IUPAC1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CCCCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O/c1-18-23(16-27-29(18)22-11-9-21(25)10-12-22)24(30)26-15-19-7-3-4-8-20(19)17-28-13-5-2-6-14-28/h3-4,7-12,16H,2,5-6,13-15,17H2,1H3,(H,26,30)
InChIKeyAJBAQRDXHHWHPV-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 38740973) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID38740973
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CCCCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O/c1-18-23(16-27-29(18)22-11-9-21(25)10-12-22)24(30)26-15-19-7-3-4-8-20(19)17-28-13-5-2-6-14-28/h3-4,7-12,16H,2,5-6,13-15,17H2,1H3,(H,26,30)
InChIKeyAJBAQRDXHHWHPV-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-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-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 37079580
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 126768124
2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 24551030
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
5-chloro-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55664571
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 38740973) is 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2CN2CCCCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is AJBAQRDXHHWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-18-23(16-27-29(18)22-11-9-21(25)10-12-22)24(30)26-15-19-7-3-4-8-20(19)17-28-13-5-2-6-14-28/h3-4,7-12,16H,2,5-6,13-15,17H2,1H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 38740973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).