4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol

C17H30N2O — CID 64784476

IUPAC4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCCC(CC)n1ccc(CC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C17H30N2O/c1-5-15(6-2)19-12-7-14(18-19)13-17(20)10-8-16(3,4)9-11-17/h7,12,15,20H,5-6,8-11,13H2,1-4H3
InChIKeyUISLPMQFNRDNNC-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.12
Rot. Bonds5

About 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 64784476) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID64784476
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCCC(CC)n1ccc(CC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C17H30N2O/c1-5-15(6-2)19-12-7-14(18-19)13-17(20)10-8-16(3,4)9-11-17/h7,12,15,20H,5-6,8-11,13H2,1-4H3
InChIKeyUISLPMQFNRDNNC-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 106663847
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64785449
3-[(3-methylazetidin-3-yl)methyl]-1-pentan-3-ylpyrazole
CID 79451419
3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 116538402
2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 106873747
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 65395111
2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 104510350
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114545880
1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452462
[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66059014

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol (CID 64784476) is 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol is CCC(CC)n1ccc(CC2(O)CCC(C)(C)CC2)n1.
What is the InChIKey of 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is UISLPMQFNRDNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-15(6-2)19-12-7-14(18-19)13-17(20)10-8-16(3,4)9-11-17/h7,12,15,20H,5-6,8-11,13H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64784476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).