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

C20H24N4O2S — CID 121169901

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCCn2nc(-c3cccs3)cc2C)cc1
InChIInChI=1S/C20H24N4O2S/c1-15-14-18(19-4-3-13-27-19)23-24(15)12-11-22-20(25)21-10-9-16-5-7-17(26-2)8-6-16/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25)
InChIKeyFKRCBCWKQKMZQL-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.47
Rot. Bonds8

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

1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea (PubChem CID 121169901) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
PubChem CID121169901
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCCn2nc(-c3cccs3)cc2C)cc1
InChIInChI=1S/C20H24N4O2S/c1-15-14-18(19-4-3-13-27-19)23-24(15)12-11-22-20(25)21-10-9-16-5-7-17(26-2)8-6-16/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25)
InChIKeyFKRCBCWKQKMZQL-UHFFFAOYSA-N
XLogP3.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122244568
1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121169890
2-(2-methoxyphenoxy)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169703
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
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-(4-propan-2-ylphenyl)acetamide
CID 121169877
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 121169579
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]-3-(trifluoromethoxy)benzamide
CID 121169854
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea (CID 121169901) is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea is COc1ccc(CCNC(=O)NCCn2nc(-c3cccs3)cc2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is FKRCBCWKQKMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15-14-18(19-4-3-13-27-19)23-24(15)12-11-22-20(25)21-10-9-16-5-7-17(26-2)8-6-16/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 384.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 121169901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).