3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol

C10H18N2O — CID 103130270

IUPAC3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCn1ccc(C(C)(O)C(C)(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2,3)10(4,13)8-6-7-12(5)11-8/h6-7,13H,1-5H3
InChIKeyZBNQBMRZMBYHMW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.67
Rot. Bonds1

About 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol

3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103130270) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
PubChem CID103130270
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCn1ccc(C(C)(O)C(C)(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2,3)10(4,13)8-6-7-12(5)11-8/h6-7,13H,1-5H3
InChIKeyZBNQBMRZMBYHMW-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
CID 103130216
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
CID 130529005
(1S)-1-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanol
CID 124638248
1-cyclopropyl-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130333
1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130179
2-fluoro-3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-1-amine
CID 103132884
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169
2-(1-methylpyrazol-3-yl)-2-nitropropan-1-ol
CID 118318131
1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 103130101
3-(4-chloro-2-methylpentan-2-yl)-1-methylpyrazole
CID 103131988
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130348
1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
CID 112709168

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol (CID 103130270) is 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol is Cn1ccc(C(C)(O)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is ZBNQBMRZMBYHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2,3)10(4,13)8-6-7-12(5)11-8/h6-7,13H,1-5H3.
What are the key properties of 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol?
3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103130270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).