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

C12H16N2OS — CID 103027778

IUPAC4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
SMILESCn1cc(CCC(O)Cc2ccsc2)cn1
InChIInChI=1S/C12H16N2OS/c1-14-8-11(7-13-14)2-3-12(15)6-10-4-5-16-9-10/h4-5,7-9,12,15H,2-3,6H2,1H3
InChIKeyWVYGWLDSZHPGIN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.02
Rot. Bonds5

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

4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol (PubChem CID 103027778) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
PubChem CID103027778
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
SMILESCn1cc(CCC(O)Cc2ccsc2)cn1
InChIInChI=1S/C12H16N2OS/c1-14-8-11(7-13-14)2-3-12(15)6-10-4-5-16-9-10/h4-5,7-9,12,15H,2-3,6H2,1H3
InChIKeyWVYGWLDSZHPGIN-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

[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
CID 103025780
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027828
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 103008373
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
2-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111941013
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol (CID 103027778) is 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol is Cn1cc(CCC(O)Cc2ccsc2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol?
The InChIKey is WVYGWLDSZHPGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-8-11(7-13-14)2-3-12(15)6-10-4-5-16-9-10/h4-5,7-9,12,15H,2-3,6H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol?
4-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 103027778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).