[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C17H27N3O2 — CID 129491193

IUPAC[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C17H27N3O2/c1-12(2)20-11-9-14(18-20)17(22)19-10-5-7-15(19)13-6-3-4-8-16(13)21/h9,11-13,15-16,21H,3-8,10H2,1-2H3/t13-,15-,16-/m1/s1
InChIKeyCNXSYZOCOSPFGY-FVQBIDKESA-N
MW305.42 g/mol
LogP2.62
Rot. Bonds3

About [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 129491193) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID129491193
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C17H27N3O2/c1-12(2)20-11-9-14(18-20)17(22)19-10-5-7-15(19)13-6-3-4-8-16(13)21/h9,11-13,15-16,21H,3-8,10H2,1-2H3/t13-,15-,16-/m1/s1
InChIKeyCNXSYZOCOSPFGY-FVQBIDKESA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447632
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 129447569
[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122152024
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129481058
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
(2,6-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539009
[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129372840

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 129491193) is [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1.
What is the InChIKey of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is CNXSYZOCOSPFGY-FVQBIDKESA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)20-11-9-14(18-20)17(22)19-10-5-7-15(19)13-6-3-4-8-16(13)21/h9,11-13,15-16,21H,3-8,10H2,1-2H3/t13-,15-,16-/m1/s1.
What are the key properties of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 129491193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).