1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol

C9H15ClN2O — CID 130698281

IUPAC1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cn1ccc(Cl)n1
InChIInChI=1S/C9H15ClN2O/c1-7(2)9(3,13)6-12-5-4-8(10)11-12/h4-5,7,13H,6H2,1-3H3
InChIKeyBKUIBKHTXKIASR-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.94
Rot. Bonds3

About 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol

1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 130698281) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID130698281
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cn1ccc(Cl)n1
InChIInChI=1S/C9H15ClN2O/c1-7(2)9(3,13)6-12-5-4-8(10)11-12/h4-5,7,13H,6H2,1-3H3
InChIKeyBKUIBKHTXKIASR-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Methyl-1-(1H-pyrazol-1-YL)propan-2-OL
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3-Methyl-1-pyrazol-1-ylbutan-2-ol
CID 79002440
2-methyl-4-(1H-pyrazol-1-yl)butan-2-ol
CID 79361201
4-(4-Chloropyrazol-1-yl)-2-methylbutan-2-ol
CID 79361862
1-(Pyrazol-1-ylmethyl)cyclopropan-1-ol
CID 84648334
3-Hydroxy-2,2-dimethyl-4-pyrazol-1-ylbutanimidoyl chloride
CID 88789762
2,3-Dimethyl-3-pyrazol-1-ylbutan-2-ol
CID 90764973
2,3-Dimethyl-1-pyrazol-1-ylbutan-2-ol
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3-(Pyrazol-1-ylmethyl)pentan-3-ol
CID 115919466

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol (CID 130698281) is 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)Cn1ccc(Cl)n1.
What is the InChIKey of 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is BKUIBKHTXKIASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(2)9(3,13)6-12-5-4-8(10)11-12/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol?
1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 202.69 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 130698281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).