1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

C17H15ClN4O — CID 2813772

IUPAC1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN4O/c1-12-11-16(22(21-12)15-5-3-2-4-6-15)20-17(23)19-14-9-7-13(18)8-10-14/h2-11H,1H3,(H2,19,20,23)
InChIKeyAKOYDZUCVDUCOH-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 2813772) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID2813772
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN4O/c1-12-11-16(22(21-12)15-5-3-2-4-6-15)20-17(23)19-14-9-7-13(18)8-10-14/h2-11H,1H3,(H2,19,20,23)
InChIKeyAKOYDZUCVDUCOH-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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Related Compounds

ML297
CID 56642816
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
CID 5327064
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
Pyrazolourea, 1a
CID 25210518
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(3,4-dichlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815052
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (CID 2813772) is 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is AKOYDZUCVDUCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-11-16(22(21-12)15-5-3-2-4-6-15)20-17(23)19-14-9-7-13(18)8-10-14/h2-11H,1H3,(H2,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
1-(4-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-(4-chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 2813772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).