2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol

C11H20N2O — CID 115020800

IUPAC2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
SMILESCc1nn(C(C)C)c(C)c1C(C)(C)O
InChIInChI=1S/C11H20N2O/c1-7(2)13-9(4)10(8(3)12-13)11(5,6)14/h7,14H,1-6H3
InChIKeyRHHYRBFUSIVICQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.31
Rot. Bonds2

About 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol (PubChem CID 115020800) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
PubChem CID115020800
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
SMILESCc1nn(C(C)C)c(C)c1C(C)(C)O
InChIInChI=1S/C11H20N2O/c1-7(2)13-9(4)10(8(3)12-13)11(5,6)14/h7,14H,1-6H3
InChIKeyRHHYRBFUSIVICQ-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-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 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol (CID 115020800) is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol is Cc1nn(C(C)C)c(C)c1C(C)(C)O.
What is the InChIKey of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
The InChIKey is RHHYRBFUSIVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)13-9(4)10(8(3)12-13)11(5,6)14/h7,14H,1-6H3.
What are the key properties of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 115020800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).