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

C16H18Cl2N4O — CID 2103145

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H18Cl2N4O/c17-13-7-6-11(10-14(13)18)20-16(23)21-15-8-9-19-22(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,20,21,23)
InChIKeyZZLWSPGBZRCUHU-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.34
Rot. Bonds3

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

1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea (PubChem CID 2103145) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
PubChem CID2103145
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H18Cl2N4O/c17-13-7-6-11(10-14(13)18)20-16(23)21-15-8-9-19-22(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,20,21,23)
InChIKeyZZLWSPGBZRCUHU-UHFFFAOYSA-N
XLogP5.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
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-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
1-[5-tert-Butyl-2-(2-cyano-ethyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea
CID 9907874
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 44286449
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea (CID 2103145) is 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is ZZLWSPGBZRCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-13-7-6-11(10-14(13)18)20-16(23)21-15-8-9-19-22(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,20,21,23).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea?
1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 353.25 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 2103145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).