1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea

C17H12F4N4O — CID 134120263

IUPAC1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H12F4N4O/c18-11-6-8-12(9-7-11)23-16(26)24-14-10-22-25(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H2,23,24,26)
InChIKeyIFVLJONSQPKVAK-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.67
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea

1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea (PubChem CID 134120263) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea
PubChem CID134120263
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H12F4N4O/c18-11-6-8-12(9-7-11)23-16(26)24-14-10-22-25(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H2,23,24,26)
InChIKeyIFVLJONSQPKVAK-UHFFFAOYSA-N
XLogP4.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea (CID 134120263) is 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea is O=C(Nc1ccc(F)cc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea?
The InChIKey is IFVLJONSQPKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c18-11-6-8-12(9-7-11)23-16(26)24-14-10-22-25(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H2,23,24,26).
What are the key properties of 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea?
1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea has a molecular weight of 364.30 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 134120263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).