[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

C17H24F3N3O — CID 95290773

IUPAC[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)c1
InChIInChI=1S/C17H24F3N3O/c1-12-9-21-23(10-12)15-6-3-7-22(11-15)16(24)13-4-2-5-14(8-13)17(18,19)20/h9-10,13-15H,2-8,11H2,1H3/t13-,14+,15-/m1/s1
InChIKeyITUDZXHYQRSWRE-QLFBSQMISA-N
MW343.39 g/mol
LogP3.72
Rot. Bonds2

About [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95290773) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95290773
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)c1
InChIInChI=1S/C17H24F3N3O/c1-12-9-21-23(10-12)15-6-3-7-22(11-15)16(24)13-4-2-5-14(8-13)17(18,19)20/h9-10,13-15H,2-8,11H2,1H3/t13-,14+,15-/m1/s1
InChIKeyITUDZXHYQRSWRE-QLFBSQMISA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95290773) is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)c1.
What is the InChIKey of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ITUDZXHYQRSWRE-QLFBSQMISA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12-9-21-23(10-12)15-6-3-7-22(11-15)16(24)13-4-2-5-14(8-13)17(18,19)20/h9-10,13-15H,2-8,11H2,1H3/t13-,14+,15-/m1/s1.
What are the key properties of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 343.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95290773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).