1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol

C9H15ClN2O — CID 114635695

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
SMILESCn1ncc(Cl)c1C(O)C(C)(C)C
InChIInChI=1S/C9H15ClN2O/c1-9(2,3)8(13)7-6(10)5-11-12(7)4/h5,8,13H,1-4H3
InChIKeyWGWIGKGMEWRDMY-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.15
Rot. Bonds1

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

1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol (PubChem CID 114635695) 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)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
PubChem CID114635695
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
SMILESCn1ncc(Cl)c1C(O)C(C)(C)C
InChIInChI=1S/C9H15ClN2O/c1-9(2,3)8(13)7-6(10)5-11-12(7)4/h5,8,13H,1-4H3
InChIKeyWGWIGKGMEWRDMY-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651
(4-chloro-1-methylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115836740
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine
CID 114657389
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol (CID 114635695) is 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol is Cn1ncc(Cl)c1C(O)C(C)(C)C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is WGWIGKGMEWRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-9(2,3)8(13)7-6(10)5-11-12(7)4/h5,8,13H,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 202.69 g/mol, XLogP of 2.15, 1 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)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 114635695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).