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

C17H24F3N3O — CID 100840774

IUPAC[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-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-RBSFLKMASA-N
MW343.39 g/mol
LogP3.72
Rot. Bonds2

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

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 100840774) 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,3R)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID100840774
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-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-RBSFLKMASA-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

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

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Related Compounds

2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 118743154
1-(cyclohexylmethyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72838074
2-(1-Acetylpiperidin-2-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779137
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 45804609
(3-Pyrazol-1-ylpiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 53551613
(3-Pyrazol-1-ylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 53552134
[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 53563698
[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 53571090
[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 53603885

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone (CID 100840774) is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-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,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ITUDZXHYQRSWRE-RBSFLKMASA-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,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1R,3R)-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,3R)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 100840774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).