1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea

C19H17F3N4O2 — CID 22430370

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H17F3N4O2/c1-12-16(17(27)26(25(12)2)15-6-4-3-5-7-15)24-18(28)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28)
InChIKeyVDFYTTNKIGUUJB-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.15
Rot. Bonds3

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 22430370) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID22430370
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H17F3N4O2/c1-12-16(17(27)26(25(12)2)15-6-4-3-5-7-15)24-18(28)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28)
InChIKeyVDFYTTNKIGUUJB-UHFFFAOYSA-N
XLogP4.15
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 22430370) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea is Cc1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is VDFYTTNKIGUUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-12-16(17(27)26(25(12)2)15-6-4-3-5-7-15)24-18(28)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 390.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 22430370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).