4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol

C12H16N2OS — CID 103027959

IUPAC4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol
SMILESCn1nccc1CCC(O)Cc1ccsc1
InChIInChI=1S/C12H16N2OS/c1-14-11(4-6-13-14)2-3-12(15)8-10-5-7-16-9-10/h4-7,9,12,15H,2-3,8H2,1H3
InChIKeyURTOXJMJAIUCSG-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.02
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol

4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol (PubChem CID 103027959) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol
PubChem CID103027959
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol
SMILESCn1nccc1CCC(O)Cc1ccsc1
InChIInChI=1S/C12H16N2OS/c1-14-11(4-6-13-14)2-3-12(15)8-10-5-7-16-9-10/h4-7,9,12,15H,2-3,8H2,1H3
InChIKeyURTOXJMJAIUCSG-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.02
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
3-[(1-Methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
CID 137991504
2-(1-(2-fluoroethyl)-3-(thiophen-2-yl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213885
2-(1-(2-fluoroethyl)-3-(thiophen-3-yl)-1H-pyrazol-4-yl)ethan-1-ol
CID 121213892
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-3-ylmethoxy]ethanamine
CID 9795298
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
(2-Methylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63963692
3-[1-(Cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol
CID 69259321
[3-(2-Methylpyrazol-3-yl)thiophen-2-yl]methanol
CID 69369524

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol (CID 103027959) is 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol is Cn1nccc1CCC(O)Cc1ccsc1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol?
The InChIKey is URTOXJMJAIUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-11(4-6-13-14)2-3-12(15)8-10-5-7-16-9-10/h4-7,9,12,15H,2-3,8H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol?
4-(2-methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.02, 5 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)-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 103027959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).