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

C17H15ClN4O — CID 2815115

IUPAC1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN4O/c1-12-10-16(22(21-12)15-8-3-2-4-9-15)20-17(23)19-14-7-5-6-13(18)11-14/h2-11H,1H3,(H2,19,20,23)
InChIKeyAQJUIEPFJCOCTD-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.48
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 2815115) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID2815115
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN4O/c1-12-10-16(22(21-12)15-8-3-2-4-9-15)20-17(23)19-14-7-5-6-13(18)11-14/h2-11H,1H3,(H2,19,20,23)
InChIKeyAQJUIEPFJCOCTD-UHFFFAOYSA-N
XLogP4.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (CID 2815115) is 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is AQJUIEPFJCOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-10-16(22(21-12)15-8-3-2-4-9-15)20-17(23)19-14-7-5-6-13(18)11-14/h2-11H,1H3,(H2,19,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea has a molecular weight of 326.79 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 2815115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).