1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea

C11H10Cl2N4O — CID 108813825

IUPAC1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-17-9(5-6-14-17)15-11(18)16-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H2,15,16,18)
InChIKeyFDNFKSWJVYSGRL-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.37
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea

1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 108813825) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID108813825
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-17-9(5-6-14-17)15-11(18)16-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H2,15,16,18)
InChIKeyFDNFKSWJVYSGRL-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

2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
CID 2808813
1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813668
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 86805722
2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813713
N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 55130611
N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 110471287
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea (CID 108813825) is 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is FDNFKSWJVYSGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-17-9(5-6-14-17)15-11(18)16-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H2,15,16,18).
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea?
1-(2,6-dichlorophenyl)-3-(2-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-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 108813825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).