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

C17H30N2O — CID 115999439

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCCc1cc(CC2(O)CC(C)(C)CC(C)(C)C2)n(C)n1
InChIInChI=1S/C17H30N2O/c1-7-13-8-14(19(6)18-13)9-17(20)11-15(2,3)10-16(4,5)12-17/h8,20H,7,9-12H2,1-6H3
InChIKeyBZFPBUCGVYLFDK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.49
Rot. Bonds3

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

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 115999439) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID115999439
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCCc1cc(CC2(O)CC(C)(C)CC(C)(C)C2)n(C)n1
InChIInChI=1S/C17H30N2O/c1-7-13-8-14(19(6)18-13)9-17(20)11-15(2,3)10-16(4,5)12-17/h8,20H,7,9-12H2,1-6H3
InChIKeyBZFPBUCGVYLFDK-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 80561480
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999349
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
2-(aminomethyl)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79867248
1-(2,2-dimethylcyclopropyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107004635
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
CID 106797650
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999401

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (CID 115999439) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is CCc1cc(CC2(O)CC(C)(C)CC(C)(C)C2)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is BZFPBUCGVYLFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-13-8-14(19(6)18-13)9-17(20)11-15(2,3)10-16(4,5)12-17/h8,20H,7,9-12H2,1-6H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 115999439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).