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

C17H14Cl2N4O — CID 2815052

IUPAC1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
InChIKeyKGRZXKVVBCVGDE-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.13
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 2815052) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID2815052
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
InChIKeyKGRZXKVVBCVGDE-UHFFFAOYSA-N
XLogP5.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.13
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-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
CID 5327064
Pyrazolourea, 1a
CID 25210518
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
N-(1-tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea
CID 339572
N-(1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl)-1-phenyl-1H-tetrazol-5-amine
CID 2033394

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (CID 2815052) is 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is KGRZXKVVBCVGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea has a molecular weight of 361.23 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 2815052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).