2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

C15H23N3O2 — CID 95845969

IUPAC2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C15H23N3O2/c19-14(10-15(20)6-2-1-3-7-15)18-9-5-12(11-18)13-4-8-16-17-13/h4,8,12,20H,1-3,5-7,9-11H2,(H,16,17)/t12-/m1/s1
InChIKeyIBYNCYXEWZMGQB-GFCCVEGCSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95845969) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID95845969
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C15H23N3O2/c19-14(10-15(20)6-2-1-3-7-15)18-9-5-12(11-18)13-4-8-16-17-13/h4,8,12,20H,1-3,5-7,9-11H2,(H,16,17)/t12-/m1/s1
InChIKeyIBYNCYXEWZMGQB-GFCCVEGCSA-N
XLogP1.81
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
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3-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
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1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
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1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (CID 95845969) is 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is O=C(CC1(O)CCCCC1)N1CC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IBYNCYXEWZMGQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14(10-15(20)6-2-1-3-7-15)18-9-5-12(11-18)13-4-8-16-17-13/h4,8,12,20H,1-3,5-7,9-11H2,(H,16,17)/t12-/m1/s1.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95845969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).