1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

C11H13ClN2OS — CID 103408205

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1csc(C(O)Cc2ccn(C)n2)c1Cl
InChIInChI=1S/C11H13ClN2OS/c1-7-6-16-11(10(7)12)9(15)5-8-3-4-14(2)13-8/h3-4,6,9,15H,5H2,1-2H3
InChIKeyXESLPSNPMXBUOO-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 103408205) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID103408205
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1csc(C(O)Cc2ccn(C)n2)c1Cl
InChIInChI=1S/C11H13ClN2OS/c1-7-6-16-11(10(7)12)9(15)5-8-3-4-14(2)13-8/h3-4,6,9,15H,5H2,1-2H3
InChIKeyXESLPSNPMXBUOO-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
CID 16191395
(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 79018218
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 130594717
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 3697748
(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
(1,3-Dimethylpyrazol-4-yl)-(5-nitrothiophen-2-yl)methanol
CID 20699058
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
[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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 103408205) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cc1csc(C(O)Cc2ccn(C)n2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is XESLPSNPMXBUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-6-16-11(10(7)12)9(15)5-8-3-4-14(2)13-8/h3-4,6,9,15H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 256.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 103408205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).