2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol

C11H15N3OS — CID 79975541

IUPAC2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol
SMILESCCc1ccsc1-c1cc(N)n(CCO)n1
InChIInChI=1S/C11H15N3OS/c1-2-8-3-6-16-11(8)9-7-10(12)14(13-9)4-5-15/h3,6-7,15H,2,4-5,12H2,1H3
InChIKeyOLGRJSKZSKGWGM-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.75
Rot. Bonds4

About 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol

2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol (PubChem CID 79975541) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol
PubChem CID79975541
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol
SMILESCCc1ccsc1-c1cc(N)n(CCO)n1
InChIInChI=1S/C11H15N3OS/c1-2-8-3-6-16-11(8)9-7-10(12)14(13-9)4-5-15/h3,6-7,15H,2,4-5,12H2,1H3
InChIKeyOLGRJSKZSKGWGM-UHFFFAOYSA-N
XLogP1.75
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol
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3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
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CID 43348943
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
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CID 43348896

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol (CID 79975541) is 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol is CCc1ccsc1-c1cc(N)n(CCO)n1.
What is the InChIKey of 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is OLGRJSKZSKGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-8-3-6-16-11(8)9-7-10(12)14(13-9)4-5-15/h3,6-7,15H,2,4-5,12H2,1H3.
What are the key properties of 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 79975541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).