1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C21H24N4O3 — CID 87003086

IUPAC1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCOc1cc(NC(=O)NCCc2ccc(-n3cccn3)cc2)ccc1OC
InChIInChI=1S/C21H24N4O3/c1-3-28-20-15-17(7-10-19(20)27-2)24-21(26)22-13-11-16-5-8-18(9-6-16)25-14-4-12-23-25/h4-10,12,14-15H,3,11,13H2,1-2H3,(H2,22,24,26)
InChIKeySMDFNWFEOJFBQA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.64
Rot. Bonds8

About 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 87003086) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID87003086
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCCOc1cc(NC(=O)NCCc2ccc(-n3cccn3)cc2)ccc1OC
InChIInChI=1S/C21H24N4O3/c1-3-28-20-15-17(7-10-19(20)27-2)24-21(26)22-13-11-16-5-8-18(9-6-16)25-14-4-12-23-25/h4-10,12,14-15H,3,11,13H2,1-2H3,(H2,22,24,26)
InChIKeySMDFNWFEOJFBQA-UHFFFAOYSA-N
XLogP3.64
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
3-ethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39108144
1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60612179
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31907819

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 87003086) is 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is CCOc1cc(NC(=O)NCCc2ccc(-n3cccn3)cc2)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is SMDFNWFEOJFBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-28-20-15-17(7-10-19(20)27-2)24-21(26)22-13-11-16-5-8-18(9-6-16)25-14-4-12-23-25/h4-10,12,14-15H,3,11,13H2,1-2H3,(H2,22,24,26).
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 380.45 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 87003086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).