1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol

C11H18N2O — CID 131138298

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCc1nn(C)cc1C1(O)CCC1(C)C
InChIInChI=1S/C11H18N2O/c1-8-9(7-13(4)12-8)11(14)6-5-10(11,2)3/h7,14H,5-6H2,1-4H3
InChIKeyJXRZDFXLTSGIDN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.74
Rot. Bonds1

About 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol

1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 131138298) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol
PubChem CID131138298
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCc1nn(C)cc1C1(O)CCC1(C)C
InChIInChI=1S/C11H18N2O/c1-8-9(7-13(4)12-8)11(14)6-5-10(11,2)3/h7,14H,5-6H2,1-4H3
InChIKeyJXRZDFXLTSGIDN-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol (CID 131138298) is 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol is Cc1nn(C)cc1C1(O)CCC1(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is JXRZDFXLTSGIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-9(7-13(4)12-8)11(14)6-5-10(11,2)3/h7,14H,5-6H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol?
1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 131138298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).