1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

C13H11Cl2F3N4O — CID 71808085

IUPAC1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2F3N4O/c14-9-2-1-8(7-10(9)15)20-12(23)19-4-6-22-5-3-11(21-22)13(16,17)18/h1-3,5,7H,4,6H2,(H2,19,20,23)
InChIKeySCEJYIUWUURFRY-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.03
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (PubChem CID 71808085) has the molecular formula C13H11Cl2F3N4O and a molecular weight of 367.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
PubChem CID71808085
Molecular FormulaC13H11Cl2F3N4O
Molecular Weight367.16 g/mol
Exact Mass366.03
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2F3N4O/c14-9-2-1-8(7-10(9)15)20-12(23)19-4-6-22-5-3-11(21-22)13(16,17)18/h1-3,5,7H,4,6H2,(H2,19,20,23)
InChIKeySCEJYIUWUURFRY-UHFFFAOYSA-N
XLogP4.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
CID 4885280
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
N-(2,3-dichlorophenyl)-N'-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 971083
N-(3,4-dichlorophenyl)-N'-[(1-methyl-1H-pyrrol-2-yl)methyl]urea
CID 3242532
1-[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(4-fluorophenyl)urea
CID 3546266
N-(3-chlorophenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2809257
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1920872
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 2809205
[(Z)-[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-(4-chlorophenyl)carbamate
CID 5778305
1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (CID 71808085) is 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is O=C(NCCn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The InChIKey is SCEJYIUWUURFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N4O/c14-9-2-1-8(7-10(9)15)20-12(23)19-4-6-22-5-3-11(21-22)13(16,17)18/h1-3,5,7H,4,6H2,(H2,19,20,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea has a molecular weight of 367.16 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is sourced from PubChem (CID 71808085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).