(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol

C15H24N2O — CID 106651526

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
SMILESCn1cc(C(O)C2=CCCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)11-8-6-5-7-9-11/h8,10,13,18H,5-7,9H2,1-4H3
InChIKeyMWSAYFKWYBDIFN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.25
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol

(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol (PubChem CID 106651526) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
PubChem CID106651526
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
SMILESCn1cc(C(O)C2=CCCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)11-8-6-5-7-9-11/h8,10,13,18H,5-7,9H2,1-4H3
InChIKeyMWSAYFKWYBDIFN-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
(4-tert-butylthiadiazol-5-yl)-(cyclohexen-1-yl)methanol
CID 106657926
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
CID 83090575
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83090215
(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol
CID 83091560
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
CID 83090014
(3-bromo-2,6-difluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 106941468
(3-tert-butyl-1-methylpyrazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 83091647
2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
CID 83088962
(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83091258

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol (CID 106651526) is (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol is Cn1cc(C(O)C2=CCCCC2)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol?
The InChIKey is MWSAYFKWYBDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)14-12(10-17(4)16-14)13(18)11-8-6-5-7-9-11/h8,10,13,18H,5-7,9H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol?
(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 106651526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).