1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol

C11H14N2OS — CID 105121136

IUPAC1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol
SMILESCn1ccc(CC(O)Cc2ccsc2)n1
InChIInChI=1S/C11H14N2OS/c1-13-4-2-10(12-13)7-11(14)6-9-3-5-15-8-9/h2-5,8,11,14H,6-7H2,1H3
InChIKeyCCKQDZQPVRSHGA-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.63
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol

1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 105121136) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol
PubChem CID105121136
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol
SMILESCn1ccc(CC(O)Cc2ccsc2)n1
InChIInChI=1S/C11H14N2OS/c1-13-4-2-10(12-13)7-11(14)6-9-3-5-15-8-9/h2-5,8,11,14H,6-7H2,1H3
InChIKeyCCKQDZQPVRSHGA-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.63
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
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
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(1,3-Dimethylpyrazol-4-yl)-(5-nitrothiophen-2-yl)methanol
CID 20699058
(1-Methylpyrazol-4-yl)-thiophen-3-ylmethanol
CID 61088589
(2-Methylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63963692
[3-(2-Methylpyrazol-3-yl)thiophen-2-yl]methanol
CID 69369524
(2-Methylpyrazol-3-yl)-(4-methylthiophen-2-yl)methanol
CID 69789370
(1,5-Dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 79584574
(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
CID 121429593
(R)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
CID 132016681

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol (CID 105121136) is 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol is Cn1ccc(CC(O)Cc2ccsc2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is CCKQDZQPVRSHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-13-4-2-10(12-13)7-11(14)6-9-3-5-15-8-9/h2-5,8,11,14H,6-7H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol?
1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 222.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 105121136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).