1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol

C9H15ClN2O — CID 70595068

IUPAC1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
SMILESCc1nn(C(O)C(C)C)c(C)c1Cl
InChIInChI=1S/C9H15ClN2O/c1-5(2)9(13)12-7(4)8(10)6(3)11-12/h5,9,13H,1-4H3
InChIKeyDFZATLAQPVHNST-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.30
Rot. Bonds2

About 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol

1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol (PubChem CID 70595068) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
PubChem CID70595068
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
SMILESCc1nn(C(O)C(C)C)c(C)c1Cl
InChIInChI=1S/C9H15ClN2O/c1-5(2)9(13)12-7(4)8(10)6(3)11-12/h5,9,13H,1-4H3
InChIKeyDFZATLAQPVHNST-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
CID 70566742
1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 70565587
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
CID 63577446
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
CID 64696503
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate
CID 81297481
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate
CID 17024876
3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 19619820
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62128654
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447512
4-chloro-3-methyl-1-propan-2-ylpyrazol-5-amine
CID 19619874
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64811279
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 62130370

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol (CID 70595068) is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol is Cc1nn(C(O)C(C)C)c(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
The InChIKey is DFZATLAQPVHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-5(2)9(13)12-7(4)8(10)6(3)11-12/h5,9,13H,1-4H3.
What are the key properties of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol has a molecular weight of 202.68 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 70595068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).