4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol

C12H16N2OS — CID 103005866

IUPAC4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol
SMILESCn1nccc1CCC(C)(O)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-12(15,11-4-3-9-16-11)7-5-10-6-8-13-14(10)2/h3-4,6,8-9,15H,5,7H2,1-2H3
InChIKeyQAFAFWJZUMPTKS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.32
Rot. Bonds4

About 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol

4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol (PubChem CID 103005866) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol
PubChem CID103005866
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol
SMILESCn1nccc1CCC(C)(O)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-12(15,11-4-3-9-16-11)7-5-10-6-8-13-14(10)2/h3-4,6,8-9,15H,5,7H2,1-2H3
InChIKeyQAFAFWJZUMPTKS-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
Cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955827
Cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol
CID 143534018
(2R,3S)-2-(1-phenylpyrazol-4-yl)-3-thiophen-3-ylbutan-2-ol
CID 164674011
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027995
1-(5-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
2-(4-Fluorophenyl)-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 109937217
2-(1-(2-fluoroethyl)-3-(thiophen-2-yl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213885
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 130594771
N,N-dimethyl-2-[1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethoxy]ethanamine
CID 9817143
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
CID 10221319
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol (CID 103005866) is 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol is Cn1nccc1CCC(C)(O)c1cccs1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol?
The InChIKey is QAFAFWJZUMPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(15,11-4-3-9-16-11)7-5-10-6-8-13-14(10)2/h3-4,6,8-9,15H,5,7H2,1-2H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol?
4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-2-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 103005866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).