N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C25H18F5N5O — CID 20595247

IUPACN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1
InChIInChI=1S/C25H18F5N5O/c1-34-9-8-31-23(34)16-6-7-19(17(26)11-16)32-24(36)21-13-22(25(28,29)30)33-35(21)20-12-15-5-3-2-4-14(15)10-18(20)27/h2-7,10-13H,8-9H2,1H3,(H,32,36)
InChIKeyKKUWKXIQHCWWOJ-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.27
Rot. Bonds4

About N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 20595247) has the molecular formula C25H18F5N5O and a molecular weight of 499.44 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID20595247
Molecular FormulaC25H18F5N5O
Molecular Weight499.44 g/mol
Exact Mass499.14
IUPAC NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1
InChIInChI=1S/C25H18F5N5O/c1-34-9-8-31-23(34)16-6-7-19(17(26)11-16)32-24(36)21-13-22(25(28,29)30)33-35(21)20-12-15-5-3-2-4-14(15)10-18(20)27/h2-7,10-13H,8-9H2,1H3,(H,32,36)
InChIKeyKKUWKXIQHCWWOJ-UHFFFAOYSA-N
XLogP5.27
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-{2'-[(Dimethylamino)methyl]biphenyl-4-Yl}-7-Oxo-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Pyrazolo[3,4-C]pyridin-1-Yl]benzamide
CID 9549214
2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide
CID 10389039
2-(3-carbamimidoylphenyl)-N-[4-(2-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10597827
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 10623965
FXa-IN-1
CID 11755188
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 21366644
2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide
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1-(3-carbamimidoylphenyl)-N-[4-(2-oxo-7aH-benzimidazol-1-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 23646201
2-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 44274046
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide
CID 9803558
2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 10572774
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 20595251

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 20595247) is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CN1CCN=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KKUWKXIQHCWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F5N5O/c1-34-9-8-31-23(34)16-6-7-19(17(26)11-16)32-24(36)21-13-22(25(28,29)30)33-35(21)20-12-15-5-3-2-4-14(15)10-18(20)27/h2-7,10-13H,8-9H2,1H3,(H,32,36).
What are the key properties of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 499.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 20595247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).