2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol

C10H18N2O — CID 89370094

IUPAC2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol
SMILESCc1[nH]nc(CC(C)C)c1CCO
InChIInChI=1S/C10H18N2O/c1-7(2)6-10-9(4-5-13)8(3)11-12-10/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyOPGGAGZNOVINSY-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds4

About 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol

2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 89370094) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol
PubChem CID89370094
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol
SMILESCc1[nH]nc(CC(C)C)c1CCO
InChIInChI=1S/C10H18N2O/c1-7(2)6-10-9(4-5-13)8(3)11-12-10/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyOPGGAGZNOVINSY-UHFFFAOYSA-N
XLogP1.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 12762342
1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
CID 657555
3-(3, 5-dimethyl-1H-pyrazol-4-yl) propan-1-ol
CID 105430140
4-Hydroxybutyl-3,5-bis-(tetrafluoroethyl)pyrazole
CID 129877153
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
CID 163425053
cis-(1R,3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopentan-1-ol
CID 177823279
2-(5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213242
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213243
2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213244
2-(5-cyclobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213245
2-(5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213246
2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol
CID 143749682

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol (CID 89370094) is 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol is Cc1[nH]nc(CC(C)C)c1CCO.
What is the InChIKey of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is OPGGAGZNOVINSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)6-10-9(4-5-13)8(3)11-12-10/h7,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol?
2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 182.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 89370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).