1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea

C17H16N4O — CID 736191

IUPAC1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea
SMILESCc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)
InChIKeyKJTYQAYFNWYLFE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.82
Rot. Bonds3

About 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea

1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea (PubChem CID 736191) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea
PubChem CID736191
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea
SMILESCc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)
InChIKeyKJTYQAYFNWYLFE-UHFFFAOYSA-N
XLogP3.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea (CID 736191) is 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea is Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea?
The InChIKey is KJTYQAYFNWYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22).
What are the key properties of 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea?
1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea has a molecular weight of 292.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea is sourced from PubChem (CID 736191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).