4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol

C15H26N2O — CID 165497609

IUPAC4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1n1ccc(C)n1
InChIInChI=1S/C15H26N2O/c1-5-15(3,4)13-7-6-12(18)10-14(13)17-9-8-11(2)16-17/h8-9,12-14,18H,5-7,10H2,1-4H3
InChIKeySGCFKUVOOZUGIR-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.33
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol

4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 165497609) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID165497609
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1n1ccc(C)n1
InChIInChI=1S/C15H26N2O/c1-5-15(3,4)13-7-6-12(18)10-14(13)17-9-8-11(2)16-17/h8-9,12-14,18H,5-7,10H2,1-4H3
InChIKeySGCFKUVOOZUGIR-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165492080
3-imidazol-1-yl-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497607
4-(2-methylbutan-2-yl)-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 165491573
trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 15853903
(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol
CID 126672443
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
3-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165497496
10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol
CID 165497827
4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol
CID 165497361
1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
CID 64738875
2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 55064643
3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498480

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol (CID 165497609) is 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1n1ccc(C)n1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is SGCFKUVOOZUGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(3,4)13-7-6-12(18)10-14(13)17-9-8-11(2)16-17/h8-9,12-14,18H,5-7,10H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).