1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol

C9H15ClN2O — CID 114635183

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1c(Cl)cnn1C
InChIInChI=1S/C9H15ClN2O/c1-4-6(2)9(13)8-7(10)5-11-12(8)3/h5-6,9,13H,4H2,1-3H3
InChIKeyOKSNWCJRPJGRIT-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol (PubChem CID 114635183) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
PubChem CID114635183
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1c(Cl)cnn1C
InChIInChI=1S/C9H15ClN2O/c1-4-6(2)9(13)8-7(10)5-11-12(8)3/h5-6,9,13H,4H2,1-3H3
InChIKeyOKSNWCJRPJGRIT-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
2-(4-chloro-1-methylpyrazol-5-yl)butanal
CID 83828959
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol (CID 114635183) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
The InChIKey is OKSNWCJRPJGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-4-6(2)9(13)8-7(10)5-11-12(8)3/h5-6,9,13H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol has a molecular weight of 202.69 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 114635183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).