2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol

C10H18N2O — CID 115016266

IUPAC2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
SMILESCc1cnn(C(C)C)c1C(C)(C)O
InChIInChI=1S/C10H18N2O/c1-7(2)12-9(10(4,5)13)8(3)6-11-12/h6-7,13H,1-5H3
InChIKeyBLRQEVWFOAZHBV-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.00
Rot. Bonds2

About 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol

2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol (PubChem CID 115016266) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
PubChem CID115016266
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
SMILESCc1cnn(C(C)C)c1C(C)(C)O
InChIInChI=1S/C10H18N2O/c1-7(2)12-9(10(4,5)13)8(3)6-11-12/h6-7,13H,1-5H3
InChIKeyBLRQEVWFOAZHBV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
CID 144607378
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
5-tert-butyl-1-propan-2-ylpyrazol-4-amine
CID 105439735
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
CID 114633735
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633338
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
CID 114865658
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 105477117
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
CID 139675289
2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 83384729
trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide
CID 166000245

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol (CID 115016266) is 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol is Cc1cnn(C(C)C)c1C(C)(C)O.
What is the InChIKey of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol?
The InChIKey is BLRQEVWFOAZHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)12-9(10(4,5)13)8(3)6-11-12/h6-7,13H,1-5H3.
What are the key properties of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol?
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 115016266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).