1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea

C19H15F5N4O2 — CID 2810117

IUPAC1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F5N4O2/c1-28-17(26-18(29)25-14-8-5-11(20)9-13(14)21)15(16(27-28)19(22,23)24)10-3-6-12(30-2)7-4-10/h3-9H,1-2H3,(H2,25,26,29)
InChIKeyBGMRTXBJNUOGAR-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.04
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea

1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea (PubChem CID 2810117) has the molecular formula C19H15F5N4O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
PubChem CID2810117
Molecular FormulaC19H15F5N4O2
Molecular Weight426.35 g/mol
Exact Mass426.11
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F5N4O2/c1-28-17(26-18(29)25-14-8-5-11(20)9-13(14)21)15(16(27-28)19(22,23)24)10-3-6-12(30-2)7-4-10/h3-9H,1-2H3,(H2,25,26,29)
InChIKeyBGMRTXBJNUOGAR-UHFFFAOYSA-N
XLogP5.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N'-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1-N-(2,4-difluorophenyl)ethene-1,1-diamine
CID 89186152
2-[2-[[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 2809956
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213675
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
(3R)-3-amino-4-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butanamide
CID 90466726
N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106152
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345657
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 2810235
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea (CID 2810117) is 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea is COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The InChIKey is BGMRTXBJNUOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O2/c1-28-17(26-18(29)25-14-8-5-11(20)9-13(14)21)15(16(27-28)19(22,23)24)10-3-6-12(30-2)7-4-10/h3-9H,1-2H3,(H2,25,26,29).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea has a molecular weight of 426.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea is sourced from PubChem (CID 2810117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).