cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol

C13H20N2O — CID 63901804

IUPACcyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CC=CCC2)cn1
InChIInChI=1S/C13H20N2O/c1-2-8-15-10-12(9-14-15)13(16)11-6-4-3-5-7-11/h3-4,9-11,13,16H,2,5-8H2,1H3
InChIKeyJDSQYUCDPKBDOB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.68
Rot. Bonds4

About cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol

cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol (PubChem CID 63901804) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
PubChem CID63901804
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namecyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CC=CCC2)cn1
InChIInChI=1S/C13H20N2O/c1-2-8-15-10-12(9-14-15)13(16)11-6-4-3-5-7-11/h3-4,9-11,13,16H,2,5-8H2,1H3
InChIKeyJDSQYUCDPKBDOB-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol 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

cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548
(3-ethyl-1,4-dithian-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 113299465
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
(4-bromo-1-methylpyrazol-5-yl)-cyclohex-3-en-1-ylmethanol
CID 114635530

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol (CID 63901804) is cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CC=CCC2)cn1.
What is the InChIKey of cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol?
The InChIKey is JDSQYUCDPKBDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-8-15-10-12(9-14-15)13(16)11-6-4-3-5-7-11/h3-4,9-11,13,16H,2,5-8H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol?
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 63901804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).