1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol

C10H12N2OS — CID 62501851

IUPAC1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
SMILESCn1cc(C(O)Cc2cccs2)cn1
InChIInChI=1S/C10H12N2OS/c1-12-7-8(6-11-12)10(13)5-9-3-2-4-14-9/h2-4,6-7,10,13H,5H2,1H3
InChIKeyKNNVOASJZWACBN-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.76
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol

1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol (PubChem CID 62501851) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
PubChem CID62501851
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
SMILESCn1cc(C(O)Cc2cccs2)cn1
InChIInChI=1S/C10H12N2OS/c1-12-7-8(6-11-12)10(13)5-9-3-2-4-14-9/h2-4,6-7,10,13H,5H2,1H3
InChIKeyKNNVOASJZWACBN-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 83091790
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
2-(4-iodophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 65478279
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115288903
1-(1-methylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819696
2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 59525951
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
2-(1-methylpyrazol-4-yl)-2-(4-thiophen-2-ylbutanoylamino)acetic acid
CID 115288173
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol (CID 62501851) is 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol is Cn1cc(C(O)Cc2cccs2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol?
The InChIKey is KNNVOASJZWACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-12-7-8(6-11-12)10(13)5-9-3-2-4-14-9/h2-4,6-7,10,13H,5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol?
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol has a molecular weight of 208.29 g/mol, XLogP of 1.76, 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-thiophen-2-ylethanol is sourced from PubChem (CID 62501851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).