1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea

C18H10Cl2F6N4O — CID 2741280

IUPAC1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H10Cl2F6N4O/c19-9-5-10(20)7-12(6-9)28-16(31)27-11-1-3-13(4-2-11)30-15(18(24,25)26)8-14(29-30)17(21,22)23/h1-8H,(H2,27,28,31)
InChIKeyMVNQYLDRHQVRQA-UHFFFAOYSA-N
MW483.20 g/mol
LogP6.86
Rot. Bonds3

About 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea

1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 2741280) has the molecular formula C18H10Cl2F6N4O and a molecular weight of 483.20 g/mol. Its IUPAC name is 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea
PubChem CID2741280
Molecular FormulaC18H10Cl2F6N4O
Molecular Weight483.20 g/mol
Exact Mass482.01
IUPAC Name1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H10Cl2F6N4O/c19-9-5-10(20)7-12(6-9)28-16(31)27-11-1-3-13(4-2-11)30-15(18(24,25)26)8-14(29-30)17(21,22)23/h1-8H,(H2,27,28,31)
InChIKeyMVNQYLDRHQVRQA-UHFFFAOYSA-N
XLogP6.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.20
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
N-(3-chlorophenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2809257
1-(3,5-Dichlorophenyl)-3-[1-phenyl-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]urea
CID 118715819
1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2,4-difluorophenyl)urea
CID 2741281
1-[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(2,4-dichlorophenyl)urea
CID 2808015
N-(2,4-Difluorophenyl)-N'-[4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]urea
CID 1505015
N-(3-Chlorophenyl)-N'-(4-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)urea
CID 1505016
Urea, 1-(3-chlorophenyl)-3-[2-(3-fluorophenyl)-5-methyl-2H-pyrazol-3-yl]-
CID 1507260
1-(3-chlorophenyl)-3-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}urea
CID 19589614
1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-cyclohexylurea
CID 18677119
1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-difluorophenyl)urea
CID 18677153
1-(3-Chlorophenyl)-3-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 21105015

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea (CID 2741280) is 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is MVNQYLDRHQVRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F6N4O/c19-9-5-10(20)7-12(6-9)28-16(31)27-11-1-3-13(4-2-11)30-15(18(24,25)26)8-14(29-30)17(21,22)23/h1-8H,(H2,27,28,31).
What are the key properties of 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea?
1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 483.20 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 2741280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).