1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

C17H30N2O — CID 115999349

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCCn1nc(C)cc1CC1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-7-19-14(8-13(2)18-19)9-17(20)11-15(3,4)10-16(5,6)12-17/h8,20H,7,9-12H2,1-6H3
InChIKeyUZMOPZYHHPDENI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.72
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 115999349) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID115999349
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCCn1nc(C)cc1CC1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H30N2O/c1-7-19-14(8-13(2)18-19)9-17(20)11-15(3,4)10-16(5,6)12-17/h8,20H,7,9-12H2,1-6H3
InChIKeyUZMOPZYHHPDENI-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (CID 115999349) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is CCn1nc(C)cc1CC1(O)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is UZMOPZYHHPDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-19-14(8-13(2)18-19)9-17(20)11-15(3,4)10-16(5,6)12-17/h8,20H,7,9-12H2,1-6H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 115999349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).