1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea

C11H10Cl2N4O — CID 166226394

IUPAC1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
SMILESCc1cc(Cl)c(NC(=O)Nc2ccn[nH]2)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-6-4-8(13)9(5-7(6)12)15-11(18)16-10-2-3-14-17-10/h2-5H,1H3,(H3,14,15,16,17,18)
InChIKeyIXGBQATXEBOZMA-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.67
Rot. Bonds2

About 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea

1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea (PubChem CID 166226394) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
PubChem CID166226394
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
SMILESCc1cc(Cl)c(NC(=O)Nc2ccn[nH]2)cc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-6-4-8(13)9(5-7(6)12)15-11(18)16-10-2-3-14-17-10/h2-5H,1H3,(H3,14,15,16,17,18)
InChIKeyIXGBQATXEBOZMA-UHFFFAOYSA-N
XLogP3.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
CID 47388450
1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 61394391
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
1-(4-methyl-1H-indazol-6-yl)-3-(1H-pyrazol-5-yl)urea
CID 166226374
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61394455
2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 119049281

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea (CID 166226394) is 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea is Cc1cc(Cl)c(NC(=O)Nc2ccn[nH]2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
The InChIKey is IXGBQATXEBOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6-4-8(13)9(5-7(6)12)15-11(18)16-10-2-3-14-17-10/h2-5H,1H3,(H3,14,15,16,17,18).
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea?
1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea has a molecular weight of 285.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 166226394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).