3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol

C9H15ClN2O — CID 164652796

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol
SMILESCc1nn(CC(C)(C)CO)cc1Cl
InChIInChI=1S/C9H15ClN2O/c1-7-8(10)4-12(11-7)5-9(2,3)6-13/h4,13H,5-6H2,1-3H3
InChIKeyWQOHKUMFVZJTOM-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.86
Rot. Bonds3

About 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol

3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 164652796) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID164652796
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol
SMILESCc1nn(CC(C)(C)CO)cc1Cl
InChIInChI=1S/C9H15ClN2O/c1-7-8(10)4-12(11-7)5-9(2,3)6-13/h4,13H,5-6H2,1-3H3
InChIKeyWQOHKUMFVZJTOM-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
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4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
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1-(2-bromo-3,3,3-trifluoropropyl)-4-chloro-3-methylpyrazole
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2-chloro-5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazole
CID 80611877
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
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4-(4-chloro-3-methylpyrazol-1-yl)but-2-en-1-amine
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1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 144607283
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
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CID 156901511

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol (CID 164652796) is 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol is Cc1nn(CC(C)(C)CO)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is WQOHKUMFVZJTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7-8(10)4-12(11-7)5-9(2,3)6-13/h4,13H,5-6H2,1-3H3.
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol?
3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 202.69 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 164652796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).