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

C17H19F3N4O — CID 120920271

IUPAC4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-4-2-13(3-5-14)12-22-15(25)16(6-9-21-10-7-16)24-11-1-8-23-24/h1-5,8,11,21H,6-7,9-10,12H2,(H,22,25)
InChIKeyIMQASUZZVRNZLO-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.30
Rot. Bonds4

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

4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 120920271) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID120920271
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-4-2-13(3-5-14)12-22-15(25)16(6-9-21-10-7-16)24-11-1-8-23-24/h1-5,8,11,21H,6-7,9-10,12H2,(H,22,25)
InChIKeyIMQASUZZVRNZLO-UHFFFAOYSA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930774
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925254
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925468
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 120920271) is 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is IMQASUZZVRNZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)14-4-2-13(3-5-14)12-22-15(25)16(6-9-21-10-7-16)24-11-1-8-23-24/h1-5,8,11,21H,6-7,9-10,12H2,(H,22,25).
What are the key properties of 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120920271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).