1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol

C13H22N2O2 — CID 164637937

IUPAC1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol
SMILESCCc1cc(CC)n(C[C@H](O)C2(O)CCC2)n1
InChIInChI=1S/C13H22N2O2/c1-3-10-8-11(4-2)15(14-10)9-12(16)13(17)6-5-7-13/h8,12,16-17H,3-7,9H2,1-2H3/t12-/m0/s1
InChIKeyOOYLPWICKYIEQM-LBPRGKRZSA-N
MW238.33 g/mol
LogP1.28
Rot. Bonds5

About 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol

1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol (PubChem CID 164637937) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol
PubChem CID164637937
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol
SMILESCCc1cc(CC)n(C[C@H](O)C2(O)CCC2)n1
InChIInChI=1S/C13H22N2O2/c1-3-10-8-11(4-2)15(14-10)9-12(16)13(17)6-5-7-13/h8,12,16-17H,3-7,9H2,1-2H3/t12-/m0/s1
InChIKeyOOYLPWICKYIEQM-LBPRGKRZSA-N
XLogP1.28
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43531678
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CID 178165917
1-Fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 178165944
3-(3,5-Diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 82695099
2-(3-Isopropyl-5-methyl-1H-pyrazol-1-yl)ethanol
CID 45096374
(2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54332033
1-(3,5-Dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol
CID 58099762
cis-4-(3,5-Diisopropyl-pyrazol-1-yl)-cyclohexanol
CID 58256803
2-(3-Tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol
CID 59540032
2-[3,5-Di(propan-2-yl)pyrazol-1-yl]ethanol
CID 60097014
2-[(2-Ethyl-5-methylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 65853539
ethyl (1-isobutyl-3-methyl-1H-pyrazol-5-yl)methanol
CID 67376588

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol (CID 164637937) is 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol is CCc1cc(CC)n(C[C@H](O)C2(O)CCC2)n1.
What is the InChIKey of 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol?
The InChIKey is OOYLPWICKYIEQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-10-8-11(4-2)15(14-10)9-12(16)13(17)6-5-7-13/h8,12,16-17H,3-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol?
1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol is sourced from PubChem (CID 164637937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).