2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol

C10H18N2O — CID 176856842

IUPAC2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol
SMILESCC(C)c1nn(C)cc1C(C)(C)O
InChIInChI=1S/C10H18N2O/c1-7(2)9-8(10(3,4)13)6-12(5)11-9/h6-7,13H,1-5H3
InChIKeyIBUJRGSHTOJLMV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.77
Rot. Bonds2

About 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol

2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol (PubChem CID 176856842) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol
PubChem CID176856842
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol
SMILESCC(C)c1nn(C)cc1C(C)(C)O
InChIInChI=1S/C10H18N2O/c1-7(2)9-8(10(3,4)13)6-12(5)11-9/h6-7,13H,1-5H3
InChIKeyIBUJRGSHTOJLMV-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Tert-butyl-1-propan-2-ylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 126749933
1,1,1-Trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
CID 126758599
1,1,1-Trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
CID 126758601
N-[1,1,1-trifluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butan-2-yl]oxymethanamine
CID 169610655
1-(1,5-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 79584950
1-(3-tert-butyl-1-methyl-1H-pyrazol-4-yl)-2,2-difluoroethan-1-ol
CID 83091093
1-(1,3-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 83091280
1-(3-Tert-butyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
CID 83091644
1-(1,3-Dimethylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
CID 83091660
1-(3-tert-butyl-1-methyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-ol
CID 83092071
1-(3-Tert-butyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 83092250
1,1,1-Trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 83957748

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol (CID 176856842) is 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol is CC(C)c1nn(C)cc1C(C)(C)O.
What is the InChIKey of 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol?
The InChIKey is IBUJRGSHTOJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)9-8(10(3,4)13)6-12(5)11-9/h6-7,13H,1-5H3.
What are the key properties of 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol?
2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-propan-2-ylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 176856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).