2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

C19H23N3O2S — CID 18592764

IUPAC2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccccc1O
InChIInChI=1S/C19H23N3O2S/c1-3-21(4-2)13-19(24)22-16(14-8-5-6-9-17(14)23)12-15(20-22)18-10-7-11-25-18/h5-11,16,23H,3-4,12-13H2,1-2H3
InChIKeySIIUYAVYSWCVCY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.47
Rot. Bonds6

About 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 18592764) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID18592764
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccccc1O
InChIInChI=1S/C19H23N3O2S/c1-3-21(4-2)13-19(24)22-16(14-8-5-6-9-17(14)23)12-15(20-22)18-10-7-11-25-18/h5-11,16,23H,3-4,12-13H2,1-2H3
InChIKeySIIUYAVYSWCVCY-UHFFFAOYSA-N
XLogP3.47
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 18592764) is 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccccc1O.
What is the InChIKey of 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is SIIUYAVYSWCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-21(4-2)13-19(24)22-16(14-8-5-6-9-17(14)23)12-15(20-22)18-10-7-11-25-18/h5-11,16,23H,3-4,12-13H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 357.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 18592764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).