N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C17H19F3N4O — CID 126788238

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O/c1-11-2-3-13(10-14(11)17(18,19)20)22-16(25)24-8-5-12(6-9-24)15-4-7-21-23-15/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,23)(H,22,25)
InChIKeyFRVXCSJWZACBSL-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.15
Rot. Bonds2

About N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 126788238) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID126788238
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O/c1-11-2-3-13(10-14(11)17(18,19)20)22-16(25)24-8-5-12(6-9-24)15-4-7-21-23-15/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,23)(H,22,25)
InChIKeyFRVXCSJWZACBSL-UHFFFAOYSA-N
XLogP4.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-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

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126796006
N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99713395
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119036533
N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99697397
N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 72895536
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 126788238) is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is FRVXCSJWZACBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-2-3-13(10-14(11)17(18,19)20)22-16(25)24-8-5-12(6-9-24)15-4-7-21-23-15/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126788238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).