1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C16H22N4O2 — CID 60570260

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCOc1ccc(C)cc1C(C)NC(=O)NCc1cnn(C)c1
InChIInChI=1S/C16H22N4O2/c1-11-5-6-15(22-4)14(7-11)12(2)19-16(21)17-8-13-9-18-20(3)10-13/h5-7,9-10,12H,8H2,1-4H3,(H2,17,19,21)
InChIKeyVGXIDYZEOJQKRJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.30
Rot. Bonds5

About 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 60570260) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID60570260
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCOc1ccc(C)cc1C(C)NC(=O)NCc1cnn(C)c1
InChIInChI=1S/C16H22N4O2/c1-11-5-6-15(22-4)14(7-11)12(2)19-16(21)17-8-13-9-18-20(3)10-13/h5-7,9-10,12H,8H2,1-4H3,(H2,17,19,21)
InChIKeyVGXIDYZEOJQKRJ-UHFFFAOYSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122017293
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CID 80682010
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231363
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 55683756
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 95187109
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 17460810
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95759822
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108867649
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134048712

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 60570260) is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is COc1ccc(C)cc1C(C)NC(=O)NCc1cnn(C)c1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is VGXIDYZEOJQKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-5-6-15(22-4)14(7-11)12(2)19-16(21)17-8-13-9-18-20(3)10-13/h5-7,9-10,12H,8H2,1-4H3,(H2,17,19,21).
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 60570260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).