1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea

C20H22N4O3 — CID 55746297

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2cccc(-n3cccn3)c2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-19(18)27-2)9-11-21-20(25)23-16-5-3-6-17(14-16)24-12-4-10-22-24/h3-8,10,12-14H,9,11H2,1-2H3,(H2,21,23,25)
InChIKeyKOCXABVIZDOFJK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.25
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 55746297) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID55746297
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2cccc(-n3cccn3)c2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-19(18)27-2)9-11-21-20(25)23-16-5-3-6-17(14-16)24-12-4-10-22-24/h3-8,10,12-14H,9,11H2,1-2H3,(H2,21,23,25)
InChIKeyKOCXABVIZDOFJK-UHFFFAOYSA-N
XLogP3.25
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55700607
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111214279
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
CID 121239700
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 55746297) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea is COc1ccc(CCNC(=O)Nc2cccc(-n3cccn3)c2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is KOCXABVIZDOFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-19(18)27-2)9-11-21-20(25)23-16-5-3-6-17(14-16)24-12-4-10-22-24/h3-8,10,12-14H,9,11H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 366.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 55746297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).