1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea

C18H18N4O — CID 2815490

IUPAC1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCc1ccccc1NC(=O)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C18H18N4O/c1-13-8-6-7-11-15(13)19-18(23)20-17-12-16(21-22(17)2)14-9-4-3-5-10-14/h3-12H,1-2H3,(H2,19,20,23)
InChIKeyXGFIHROKDPLSQY-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.04
Rot. Bonds3

About 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea

1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 2815490) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID2815490
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCc1ccccc1NC(=O)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C18H18N4O/c1-13-8-6-7-11-15(13)19-18(23)20-17-12-16(21-22(17)2)14-9-4-3-5-10-14/h3-12H,1-2H3,(H2,19,20,23)
InChIKeyXGFIHROKDPLSQY-UHFFFAOYSA-N
XLogP4.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea (CID 2815490) is 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea is Cc1ccccc1NC(=O)Nc1cc(-c2ccccc2)nn1C.
What is the InChIKey of 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is XGFIHROKDPLSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-8-6-7-11-15(13)19-18(23)20-17-12-16(21-22(17)2)14-9-4-3-5-10-14/h3-12H,1-2H3,(H2,19,20,23).
What are the key properties of 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 306.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 2815490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).