N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C13H18F4N4O — CID 75448755

IUPACN-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F4N4O/c14-5-1-6-18-12(22)20-7-2-10(3-8-20)21-9-4-11(19-21)13(15,16)17/h4,9-10H,1-3,5-8H2,(H,18,22)
InChIKeyIOZYHXZIMUVOJD-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.61
Rot. Bonds4

About N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448755) has the molecular formula C13H18F4N4O and a molecular weight of 322.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448755
Molecular FormulaC13H18F4N4O
Molecular Weight322.31 g/mol
Exact Mass322.14
IUPAC NameN-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F4N4O/c14-5-1-6-18-12(22)20-7-2-10(3-8-20)21-9-4-11(19-21)13(15,16)17/h4,9-10H,1-3,5-8H2,(H,18,22)
InChIKeyIOZYHXZIMUVOJD-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(4-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448561
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(1-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448733
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84597978
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine
CID 61632463
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454
1-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 134790097
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-1H-imidazol-2-one
CID 134791976
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448755) is N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is IOZYHXZIMUVOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N4O/c14-5-1-6-18-12(22)20-7-2-10(3-8-20)21-9-4-11(19-21)13(15,16)17/h4,9-10H,1-3,5-8H2,(H,18,22).
What are the key properties of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).