[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C15H23N3O2 — CID 103120402

IUPAC[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2C2CCCCC2O)n1
InChIInChI=1S/C15H23N3O2/c1-17-10-8-12(16-17)15(20)18-9-4-6-13(18)11-5-2-3-7-14(11)19/h8,10-11,13-14,19H,2-7,9H2,1H3
InChIKeyRYSPBKXKBILUGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds2

About [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 103120402) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID103120402
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2C2CCCCC2O)n1
InChIInChI=1S/C15H23N3O2/c1-17-10-8-12(16-17)15(20)18-9-4-6-13(18)11-5-2-3-7-14(11)19/h8,10-11,13-14,19H,2-7,9H2,1H3
InChIKeyRYSPBKXKBILUGG-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 129491193
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447632
(3-ethyl-1-methylpyrazol-4-yl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 102810898
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120579

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 103120402) is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC2C2CCCCC2O)n1.
What is the InChIKey of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is RYSPBKXKBILUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-10-8-12(16-17)15(20)18-9-4-6-13(18)11-5-2-3-7-14(11)19/h8,10-11,13-14,19H,2-7,9H2,1H3.
What are the key properties of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103120402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).