3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol

C15H24N2O — CID 107383499

IUPAC3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
SMILESCCc1cc(CC2=CC(O)CCCC2)n(CC)n1
InChIInChI=1S/C15H24N2O/c1-3-13-11-14(17(4-2)16-13)9-12-7-5-6-8-15(18)10-12/h10-11,15,18H,3-9H2,1-2H3
InChIKeyMJCJDRJQFLNHBT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds4

About 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol

3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol (PubChem CID 107383499) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
PubChem CID107383499
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
SMILESCCc1cc(CC2=CC(O)CCCC2)n(CC)n1
InChIInChI=1S/C15H24N2O/c1-3-13-11-14(17(4-2)16-13)9-12-7-5-6-8-15(18)10-12/h10-11,15,18H,3-9H2,1-2H3
InChIKeyMJCJDRJQFLNHBT-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-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-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
CID 107383447
(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 114794994
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
(3S)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
CID 79030658
(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
CID 66291557
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465543
1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol
CID 114502633
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
4-bromo-5-[(3-chlorocyclohepten-1-yl)methyl]-1,3-diethylpyrazole
CID 107383751
3-(3-ethylsulfanylpropyl)cyclohept-2-en-1-ol
CID 107383662

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol?
The IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol (CID 107383499) is 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol?
The canonical SMILES for 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol is CCc1cc(CC2=CC(O)CCCC2)n(CC)n1.
What is the InChIKey of 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol?
The InChIKey is MJCJDRJQFLNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-13-11-14(17(4-2)16-13)9-12-7-5-6-8-15(18)10-12/h10-11,15,18H,3-9H2,1-2H3.
What are the key properties of 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol?
3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 107383499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).