1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea

C15H18Cl2N4O — CID 60610484

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
SMILESCc1cnn(CCCNC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-11-8-20-21(10-11)6-2-5-18-15(22)19-9-12-3-4-13(16)7-14(12)17/h3-4,7-8,10H,2,5-6,9H2,1H3,(H2,18,19,22)
InChIKeyIILXMHBHAGODNW-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.39
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea

1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea (PubChem CID 60610484) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
PubChem CID60610484
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
SMILESCc1cnn(CCCNC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-11-8-20-21(10-11)6-2-5-18-15(22)19-9-12-3-4-13(16)7-14(12)17/h3-4,7-8,10H,2,5-6,9H2,1H3,(H2,18,19,22)
InChIKeyIILXMHBHAGODNW-UHFFFAOYSA-N
XLogP3.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111762653
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
1-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572989
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 105352551
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60610794
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
1-(3-chlorophenyl)-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572965
1-(3,4-dichlorophenyl)-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572992
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526401
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559737
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19327940

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea (CID 60610484) is 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea is Cc1cnn(CCCNC(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea?
The InChIKey is IILXMHBHAGODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-11-8-20-21(10-11)6-2-5-18-15(22)19-9-12-3-4-13(16)7-14(12)17/h3-4,7-8,10H,2,5-6,9H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea?
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea has a molecular weight of 341.24 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea is sourced from PubChem (CID 60610484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).