1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol

C11H20N2O — CID 67376588

IUPAC1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1cc(C)nn1CC(C)C
InChIInChI=1S/C11H20N2O/c1-5-11(14)10-6-9(4)12-13(10)7-8(2)3/h6,8,11,14H,5,7H2,1-4H3
InChIKeyGPRHMCDPIUUDSL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.29
Rot. Bonds4

About 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol

1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol (PubChem CID 67376588) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
PubChem CID67376588
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1cc(C)nn1CC(C)C
InChIInChI=1S/C11H20N2O/c1-5-11(14)10-6-9(4)12-13(10)7-8(2)3/h6,8,11,14H,5,7H2,1-4H3
InChIKeyGPRHMCDPIUUDSL-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
CID 165138413
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
1-(2,5-dimethylpyrazol-3-yl)-3-ethylpentan-1-ol
CID 105122554
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole
CID 122448784
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105111437

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol (CID 67376588) is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol is CCC(O)c1cc(C)nn1CC(C)C.
What is the InChIKey of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
The InChIKey is GPRHMCDPIUUDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(14)10-6-9(4)12-13(10)7-8(2)3/h6,8,11,14H,5,7H2,1-4H3.
What are the key properties of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 67376588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).