1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

C20H24N4O4S — CID 121169890

IUPAC1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCn2nc(-c3cccs3)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H24N4O4S/c1-13-10-15(18-6-5-9-29-18)23-24(13)8-7-21-20(25)22-14-11-16(26-2)19(28-4)17(12-14)27-3/h5-6,9-12H,7-8H2,1-4H3,(H2,21,22,25)
InChIKeyQCWHBSJDDJARDJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.77
Rot. Bonds8

About 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 121169890) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID121169890
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCn2nc(-c3cccs3)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H24N4O4S/c1-13-10-15(18-6-5-9-29-18)23-24(13)8-7-21-20(25)22-14-11-16(26-2)19(28-4)17(12-14)27-3/h5-6,9-12H,7-8H2,1-4H3,(H2,21,22,25)
InChIKeyQCWHBSJDDJARDJ-UHFFFAOYSA-N
XLogP3.77
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methoxyphenoxy)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169703
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121169592
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169761
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 121169591
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
1-methylsulfonyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 121169759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 121169890) is 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCCn2nc(-c3cccs3)cc2C)cc(OC)c1OC.
What is the InChIKey of 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is QCWHBSJDDJARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-13-10-15(18-6-5-9-29-18)23-24(13)8-7-21-20(25)22-14-11-16(26-2)19(28-4)17(12-14)27-3/h5-6,9-12H,7-8H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 416.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 121169890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).