1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol

C10H18N2O — CID 144607417

IUPAC1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCCc1cn(CC(C)(C)O)nc1C
InChIInChI=1S/C10H18N2O/c1-5-9-6-12(11-8(9)2)7-10(3,4)13/h6,13H,5,7H2,1-4H3
InChIKeyWXFQBMIQUBTTKQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol

1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 144607417) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID144607417
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCCc1cn(CC(C)(C)O)nc1C
InChIInChI=1S/C10H18N2O/c1-5-9-6-12(11-8(9)2)7-10(3,4)13/h6,13H,5,7H2,1-4H3
InChIKeyWXFQBMIQUBTTKQ-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 144607283
1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
CID 167082386
ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol
CID 170573642
ethane;2-(4-ethyl-3-methylpyrazol-1-yl)ethanol
CID 169138415
2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 169217856
1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
CID 170247527
ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 177014001
1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
CID 170144726
3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol
CID 23006051
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
CID 165479986
2-[1-(2-fluoroethyl)-3-methylpyrazol-4-yl]acetic acid
CID 84660521
4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol
CID 79360049

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol (CID 144607417) is 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol is CCc1cn(CC(C)(C)O)nc1C.
What is the InChIKey of 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is WXFQBMIQUBTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-9-6-12(11-8(9)2)7-10(3,4)13/h6,13H,5,7H2,1-4H3.
What are the key properties of 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol?
1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 144607417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).