2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide

C24H24F3N3O — CID 174931905

IUPAC2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)c1c(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccnn1C1CC1
InChIInChI=1S/C24H24F3N3O/c1-23(2,3)21-18(20-10-11-29-30(20)17-8-9-17)12-15(13-19(21)22(28)31)14-4-6-16(7-5-14)24(25,26)27/h4-7,10-13,17H,8-9H2,1-3H3,(H2,28,31)
InChIKeyNIBQGBRCFUBLMD-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.97
Rot. Bonds4

About 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide

2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 174931905) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID174931905
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)c1c(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccnn1C1CC1
InChIInChI=1S/C24H24F3N3O/c1-23(2,3)21-18(20-10-11-29-30(20)17-8-9-17)12-15(13-19(21)22(28)31)14-4-6-16(7-5-14)24(25,26)27/h4-7,10-13,17H,8-9H2,1-3H3,(H2,28,31)
InChIKeyNIBQGBRCFUBLMD-UHFFFAOYSA-N
XLogP5.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide
CID 174932650
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
5-amino-1-(1-but-2-ynoylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 123581302
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3348125
N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 130298804
2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
CID 135063895
4-[[(3S)-piperidin-3-yl]amino]-6-[4-(trifluoromethyl)phenyl]quinazoline-8-carboxamide
CID 66764088
(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 135369373
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 141484570
3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 143035625

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide (CID 174931905) is 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide is CC(C)(C)c1c(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccnn1C1CC1.
What is the InChIKey of 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NIBQGBRCFUBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-23(2,3)21-18(20-10-11-29-30(20)17-8-9-17)12-15(13-19(21)22(28)31)14-4-6-16(7-5-14)24(25,26)27/h4-7,10-13,17H,8-9H2,1-3H3,(H2,28,31).
What are the key properties of 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide?
2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 427.47 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2-cyclopropylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 174931905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).