1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea

C19H20N4O3 — CID 35521100

IUPAC1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-13-10-11-23(22-13)15-6-4-14(5-7-15)20-19(24)21-17-12-16(25-2)8-9-18(17)26-3/h4-12H,1-3H3,(H2,20,21,24)
InChIKeyXDURFQVEUVFETD-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.84
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea (PubChem CID 35521100) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
PubChem CID35521100
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-13-10-11-23(22-13)15-6-4-14(5-7-15)20-19(24)21-17-12-16(25-2)8-9-18(17)26-3/h4-12H,1-3H3,(H2,20,21,24)
InChIKeyXDURFQVEUVFETD-UHFFFAOYSA-N
XLogP3.84
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea (CID 35521100) is 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is XDURFQVEUVFETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-10-11-23(22-13)15-6-4-14(5-7-15)20-19(24)21-17-12-16(25-2)8-9-18(17)26-3/h4-12H,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea?
1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 352.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 35521100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).