1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea

C20H22N4O3 — CID 55746233

IUPAC1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C20H22N4O3/c1-14(18-13-17(26-2)8-9-19(18)27-3)22-20(25)23-15-6-4-7-16(12-15)24-11-5-10-21-24/h4-14H,1-3H3,(H2,22,23,25)
InChIKeyYWTGYIOREWMLKR-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.77
Rot. Bonds6

About 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 55746233) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID55746233
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C20H22N4O3/c1-14(18-13-17(26-2)8-9-19(18)27-3)22-20(25)23-15-6-4-7-16(12-15)24-11-5-10-21-24/h4-14H,1-3H3,(H2,22,23,25)
InChIKeyYWTGYIOREWMLKR-UHFFFAOYSA-N
XLogP3.77
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554700
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 97352904
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 75477403
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 29038554
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 97157167
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 55746233) is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea is COc1ccc(OC)c(C(C)NC(=O)Nc2cccc(-n3cccn3)c2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is YWTGYIOREWMLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(18-13-17(26-2)8-9-19(18)27-3)22-20(25)23-15-6-4-7-16(12-15)24-11-5-10-21-24/h4-14H,1-3H3,(H2,22,23,25).
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 366.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 55746233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).