1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol

C17H30N2O2 — CID 103452462

IUPAC1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
SMILESCCC(CC)n1ccc(CC(O)C2(O)CCC(C)CC2)n1
InChIInChI=1S/C17H30N2O2/c1-4-15(5-2)19-11-8-14(18-19)12-16(20)17(21)9-6-13(3)7-10-17/h8,11,13,15-16,20-21H,4-7,9-10,12H2,1-3H3
InChIKeyBKZOCPVOTARLBO-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds6

About 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol

1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452462) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
PubChem CID103452462
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
SMILESCCC(CC)n1ccc(CC(O)C2(O)CCC(C)CC2)n1
InChIInChI=1S/C17H30N2O2/c1-4-15(5-2)19-11-8-14(18-19)12-16(20)17(21)9-6-13(3)7-10-17/h8,11,13,15-16,20-21H,4-7,9-10,12H2,1-3H3
InChIKeyBKZOCPVOTARLBO-UHFFFAOYSA-N
XLogP3.09
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 65395111
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807875
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol (CID 103452462) is 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol is CCC(CC)n1ccc(CC(O)C2(O)CCC(C)CC2)n1.
What is the InChIKey of 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol?
The InChIKey is BKZOCPVOTARLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-15(5-2)19-11-8-14(18-19)12-16(20)17(21)9-6-13(3)7-10-17/h8,11,13,15-16,20-21H,4-7,9-10,12H2,1-3H3.
What are the key properties of 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol?
1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).