N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H19F3N4O — CID 146084818

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-9-11(6-18-19-9)5-17-12(21)10-3-2-4-20(7-10)8-13(14,15)16/h6,10H,2-5,7-8H2,1H3,(H,17,21)(H,18,19)
InChIKeyKRFGGJFZFBZUOW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.61
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 146084818) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID146084818
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-9-11(6-18-19-9)5-17-12(21)10-3-2-4-20(7-10)8-13(14,15)16/h6,10H,2-5,7-8H2,1H3,(H,17,21)(H,18,19)
InChIKeyKRFGGJFZFBZUOW-UHFFFAOYSA-N
XLogP1.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 56817425
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 132420402
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
(3S)-N-(cyclopropylmethyl)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-fluoropiperidine-3-carboxamide
CID 164635298

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 146084818) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is KRFGGJFZFBZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9-11(6-18-19-9)5-17-12(21)10-3-2-4-20(7-10)8-13(14,15)16/h6,10H,2-5,7-8H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 146084818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).