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

C21H24N4O2S — CID 86266319

IUPAC1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-27-18-6-2-15(3-7-18)13-23-21(26)22-9-10-25-20(16-4-5-16)12-19(24-25)17-8-11-28-14-17/h2-3,6-8,11-12,14,16H,4-5,9-10,13H2,1H3,(H2,22,23,26)
InChIKeyGJLNYDLRYLUYIF-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.00
Rot. Bonds8

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

1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 86266319) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID86266319
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-27-18-6-2-15(3-7-18)13-23-21(26)22-9-10-25-20(16-4-5-16)12-19(24-25)17-8-11-28-14-17/h2-3,6-8,11-12,14,16H,4-5,9-10,13H2,1H3,(H2,22,23,26)
InChIKeyGJLNYDLRYLUYIF-UHFFFAOYSA-N
XLogP4.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 86266307
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71808650
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 71807793
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121119868
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
1-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121078039
1-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121116601
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
CID 72718613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 86266319) is 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1.
What is the InChIKey of 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is GJLNYDLRYLUYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-27-18-6-2-15(3-7-18)13-23-21(26)22-9-10-25-20(16-4-5-16)12-19(24-25)17-8-11-28-14-17/h2-3,6-8,11-12,14,16H,4-5,9-10,13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 396.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 86266319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).