5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

C19H20N2O4S — CID 5225454

IUPAC5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SMILESCOc1cccc(C2=NN(C(=O)CCCC(=O)O)C(c3cccs3)C2)c1
InChIInChI=1S/C19H20N2O4S/c1-25-14-6-2-5-13(11-14)15-12-16(17-7-4-10-26-17)21(20-15)18(22)8-3-9-19(23)24/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,23,24)
InChIKeyMXVLEXQTLBBJGN-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.69
Rot. Bonds7

About 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid (PubChem CID 5225454) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
PubChem CID5225454
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SMILESCOc1cccc(C2=NN(C(=O)CCCC(=O)O)C(c3cccs3)C2)c1
InChIInChI=1S/C19H20N2O4S/c1-25-14-6-2-5-13(11-14)15-12-16(17-7-4-10-26-17)21(20-15)18(22)8-3-9-19(23)24/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,23,24)
InChIKeyMXVLEXQTLBBJGN-UHFFFAOYSA-N
XLogP3.69
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid (CID 5225454) is 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid is COc1cccc(C2=NN(C(=O)CCCC(=O)O)C(c3cccs3)C2)c1.
What is the InChIKey of 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
The InChIKey is MXVLEXQTLBBJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-25-14-6-2-5-13(11-14)15-12-16(17-7-4-10-26-17)21(20-15)18(22)8-3-9-19(23)24/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,23,24).
What are the key properties of 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid has a molecular weight of 372.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid is sourced from PubChem (CID 5225454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).