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

C15H18Cl2N4O — CID 19405812

IUPAC1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea
SMILESCCCCNC(=O)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H18Cl2N4O/c1-2-3-7-18-15(22)19-14-6-8-21(20-14)10-11-4-5-12(16)13(17)9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H2,18,19,20,22)
InChIKeyWUSGOABJMLBSTD-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.16
Rot. Bonds6

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

1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea (PubChem CID 19405812) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea
PubChem CID19405812
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea
SMILESCCCCNC(=O)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H18Cl2N4O/c1-2-3-7-18-15(22)19-14-6-8-21(20-14)10-11-4-5-12(16)13(17)9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H2,18,19,20,22)
InChIKeyWUSGOABJMLBSTD-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
CID 19398838
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea
CID 4772594
1-[3-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470701
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-butylurea
CID 19405684
1-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19396452
2-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19398848
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19398922
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19399053
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19398933

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea (CID 19405812) is 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea is CCCCNC(=O)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is WUSGOABJMLBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-2-3-7-18-15(22)19-14-6-8-21(20-14)10-11-4-5-12(16)13(17)9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H2,18,19,20,22).
What are the key properties of 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea?
1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 341.24 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 19405812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).