1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea

C18H22Cl2N4O — CID 19407554

IUPAC1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCCCC2)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-12-10-17(22-18(25)21-13-6-3-2-4-7-13)23-24(12)11-14-15(19)8-5-9-16(14)20/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,21,22,23,25)
InChIKeyKPBQZKNHZHERHL-UHFFFAOYSA-N
MW381.31 g/mol
LogP5.00
Rot. Bonds4

About 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea

1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea (PubChem CID 19407554) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea
PubChem CID19407554
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCCCC2)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-12-10-17(22-18(25)21-13-6-3-2-4-7-13)23-24(12)11-14-15(19)8-5-9-16(14)20/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,21,22,23,25)
InChIKeyKPBQZKNHZHERHL-UHFFFAOYSA-N
XLogP5.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]cyclopropanecarboxamide
CID 19335415
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 19337382
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19339600
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
1-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470831
(E)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 19339409
(E)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19339410
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
2-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 71834344
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 19335401
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19339215
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19407539

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea (CID 19407554) is 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea is Cc1cc(NC(=O)NC2CCCCC2)nn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea?
The InChIKey is KPBQZKNHZHERHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-12-10-17(22-18(25)21-13-6-3-2-4-7-13)23-24(12)11-14-15(19)8-5-9-16(14)20/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea?
1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea has a molecular weight of 381.31 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea is sourced from PubChem (CID 19407554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).