1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea

C11H10Cl2N4O — CID 970792

IUPAC1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H10Cl2N4O/c1-17-5-4-10(16-17)15-11(18)14-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H2,14,15,16,18)
InChIKeyRGCDLOJNNSPNAL-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.37
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea

1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 970792) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID970792
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H10Cl2N4O/c1-17-5-4-10(16-17)15-11(18)14-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H2,14,15,16,18)
InChIKeyRGCDLOJNNSPNAL-UHFFFAOYSA-N
XLogP3.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
CID 1473146
N-(4-chlorophenyl)-2-(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)-2-methyl-1-hydrazinecarboxamide
CID 1478272
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886
1-(4-Chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 2818774
1-(2-Cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 2103145

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea (CID 970792) is 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is RGCDLOJNNSPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-17-5-4-10(16-17)15-11(18)14-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H2,14,15,16,18).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 285.13 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 970792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).