[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone

C17H24F3N3O — CID 95605706

IUPAC[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C17H24F3N3O/c1-12-9-21-22(10-12)11-13-5-4-8-23(13)16(24)14-6-2-3-7-15(14)17(18,19)20/h9-10,13-15H,2-8,11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyVEQLHRZKWNQFTM-ZNMIVQPWSA-N
MW343.39 g/mol
LogP3.55
Rot. Bonds3

About [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone

[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95605706) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95605706
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C17H24F3N3O/c1-12-9-21-22(10-12)11-13-5-4-8-23(13)16(24)14-6-2-3-7-15(14)17(18,19)20/h9-10,13-15H,2-8,11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyVEQLHRZKWNQFTM-ZNMIVQPWSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
N-[3-(4-methylpyrazol-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 72017633
N-{rel-(3R,4S)-4-cyclopropyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinyl}-4,4,4-trifluorobutanamide hydrochloride
CID 72896904
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 45804609
N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47369495
(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
[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 53625278
[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 56779273
[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 56779418

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone (CID 95605706) is [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone is Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1.
What is the InChIKey of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is VEQLHRZKWNQFTM-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12-9-21-22(10-12)11-13-5-4-8-23(13)16(24)14-6-2-3-7-15(14)17(18,19)20/h9-10,13-15H,2-8,11H2,1H3/t13-,14+,15-/m0/s1.
What are the key properties of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 343.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95605706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).