1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea

C17H20Cl2N4O — CID 35592061

IUPAC1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)NC1CCCCC1
InChIInChI=1S/C17H20Cl2N4O/c18-13-7-6-12(16(19)8-13)10-23-11-15(9-20-23)22-17(24)21-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10H2,(H2,21,22,24)
InChIKeyVIQKMWXBHLJCNE-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.69
Rot. Bonds4

About 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea

1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea (PubChem CID 35592061) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
PubChem CID35592061
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)NC1CCCCC1
InChIInChI=1S/C17H20Cl2N4O/c18-13-7-6-12(16(19)8-13)10-23-11-15(9-20-23)22-17(24)21-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10H2,(H2,21,22,24)
InChIKeyVIQKMWXBHLJCNE-UHFFFAOYSA-N
XLogP4.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
CID 39854205
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
CID 19449764
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)thiourea
CID 19679381
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
4-benzyl-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide
CID 19574255
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 19336122

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea (CID 35592061) is 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea is O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is VIQKMWXBHLJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c18-13-7-6-12(16(19)8-13)10-23-11-15(9-20-23)22-17(24)21-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10H2,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea?
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 367.28 g/mol, XLogP of 4.69, 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-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 35592061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).