1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone

C17H24F3N3O — CID 86787382

IUPAC1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(CC1CCC(C(F)(F)F)CC1)N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-5-3-12(4-6-15)8-16(24)23-7-1-2-13(11-23)14-9-21-22-10-14/h9-10,12-13,15H,1-8,11H2,(H,21,22)
InChIKeyCQOUGHMQVDZZLN-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.87
Rot. Bonds3

About 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone

1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 86787382) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID86787382
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(CC1CCC(C(F)(F)F)CC1)N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-5-3-12(4-6-15)8-16(24)23-7-1-2-13(11-23)14-9-21-22-10-14/h9-10,12-13,15H,1-8,11H2,(H,21,22)
InChIKeyCQOUGHMQVDZZLN-UHFFFAOYSA-N
XLogP3.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone (CID 86787382) is 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone is O=C(CC1CCC(C(F)(F)F)CC1)N1CCCC(c2cn[nH]c2)C1.
What is the InChIKey of 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is CQOUGHMQVDZZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)15-5-3-12(4-6-15)8-16(24)23-7-1-2-13(11-23)14-9-21-22-10-14/h9-10,12-13,15H,1-8,11H2,(H,21,22).
What are the key properties of 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 86787382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).