1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol

C12H16N2OS — CID 63992508

IUPAC1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1cnn(C)c1
InChIInChI=1S/C12H16N2OS/c1-9-4-5-16-11(9)12(2,15)6-10-7-13-14(3)8-10/h4-5,7-8,15H,6H2,1-3H3
InChIKeyHDQAHCFIQUOGRX-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.24
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol

1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol (PubChem CID 63992508) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
PubChem CID63992508
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1cnn(C)c1
InChIInChI=1S/C12H16N2OS/c1-9-4-5-16-11(9)12(2,15)6-10-7-13-14(3)8-10/h4-5,7-8,15H,6H2,1-3H3
InChIKeyHDQAHCFIQUOGRX-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-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 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol (CID 63992508) is 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol is Cc1ccsc1C(C)(O)Cc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The InChIKey is HDQAHCFIQUOGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-4-5-16-11(9)12(2,15)6-10-7-13-14(3)8-10/h4-5,7-8,15H,6H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 63992508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).