[3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol

C11H18N2O — CID 43647303

IUPAC[3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol
SMILESCC(C)=CCn1nc(C)c(CO)c1C
InChIInChI=1S/C11H18N2O/c1-8(2)5-6-13-10(4)11(7-14)9(3)12-13/h5,14H,6-7H2,1-4H3
InChIKeyJQOJMEHOEQXQOU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.96
Rot. Bonds3

About [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol

[3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol (PubChem CID 43647303) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol
PubChem CID43647303
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol
SMILESCC(C)=CCn1nc(C)c(CO)c1C
InChIInChI=1S/C11H18N2O/c1-8(2)5-6-13-10(4)11(7-14)9(3)12-13/h5,14H,6-7H2,1-4H3
InChIKeyJQOJMEHOEQXQOU-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.96
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

[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
CID 43647302
[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 65460858
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
CID 55255170
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
CID 61265708
[3,5-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 115069729
1-[2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridin-2-one
CID 82907789
5-methyl-1-(3-methylbut-2-enyl)tetrazole
CID 130645043
[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39359841
ethyl (E)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)but-2-enoate
CID 80546692

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol (CID 43647303) is [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol is CC(C)=CCn1nc(C)c(CO)c1C.
What is the InChIKey of [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol?
The InChIKey is JQOJMEHOEQXQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)5-6-13-10(4)11(7-14)9(3)12-13/h5,14H,6-7H2,1-4H3.
What are the key properties of [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol?
[3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(3-methylbut-2-enyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43647303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).