[4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

C17H24F3N3O — CID 155710269

IUPAC[4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCCCc1cnn(C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1
InChIInChI=1S/C17H24F3N3O/c1-2-4-13-11-21-23(12-13)14-5-9-22(10-6-14)15(24)16(7-3-8-16)17(18,19)20/h11-12,14H,2-10H2,1H3
InChIKeyWDWKQEKFSTTWFO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.73
Rot. Bonds4

About [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

[4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 155710269) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
PubChem CID155710269
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name[4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCCCc1cnn(C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1
InChIInChI=1S/C17H24F3N3O/c1-2-4-13-11-21-23(12-13)14-5-9-22(10-6-14)15(24)16(7-3-8-16)17(18,19)20/h11-12,14H,2-10H2,1H3
InChIKeyWDWKQEKFSTTWFO-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methylpyrazol-4-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 53625013
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-4-piperidinecarboxamide
CID 72888061
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138
1-[(4S)-3,3-dimethyl-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
CID 164629923
2,2,2-Trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 153301078
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 155207496
3-Fluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207530
[4-Methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
CID 155207964

Frequently Asked Questions

What is the IUPAC name of [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (CID 155710269) is [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is CCCc1cnn(C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)c1.
What is the InChIKey of [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is WDWKQEKFSTTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-2-4-13-11-21-23(12-13)14-5-9-22(10-6-14)15(24)16(7-3-8-16)17(18,19)20/h11-12,14H,2-10H2,1H3.
What are the key properties of [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
[4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 343.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 155710269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).