N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C24H25F3N4O — CID 130298804

IUPACN-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnn2CC2CC2)c1
InChIInChI=1S/C24H25F3N4O/c1-23(2,3)30-22(32)17-12-19(16-6-8-18(9-7-16)24(25,26)27)29-20(13-17)21-10-11-28-31(21)14-15-4-5-15/h6-13,15H,4-5,14H2,1-3H3,(H,30,32)
InChIKeyWITZFBPASOGTKN-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.57
Rot. Bonds5

About N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 130298804) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID130298804
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnn2CC2CC2)c1
InChIInChI=1S/C24H25F3N4O/c1-23(2,3)30-22(32)17-12-19(16-6-8-18(9-7-16)24(25,26)27)29-20(13-17)21-10-11-28-31(21)14-15-4-5-15/h6-13,15H,4-5,14H2,1-3H3,(H,30,32)
InChIKeyWITZFBPASOGTKN-UHFFFAOYSA-N
XLogP5.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298809
N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298799
N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
CID 130298813
N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130344579
N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide
CID 58229656
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
2-tert-butyl-3-[2-(cyclopropylmethyl)pyrazol-3-yl]-5-(4-fluorophenyl)benzamide
CID 174932650
3-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-fluorophenyl)pyridine-4-carboxamide
CID 174913760
2-chloro-N-[4-[[5-(dihydroxymethyl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67364213
N-tert-butyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-5-(trifluoromethyl)benzamide
CID 70913676
N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide
CID 146259210
N-tert-butyl-2-(4-chlorophenyl)-6-[(1Z)-1-[cyclopropylmethyl(ethenyl)amino]buta-1,3-dienyl]pyridine-4-carboxamide
CID 130344304

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 130298804) is N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnn2CC2CC2)c1.
What is the InChIKey of N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is WITZFBPASOGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-23(2,3)30-22(32)17-12-19(16-6-8-18(9-7-16)24(25,26)27)29-20(13-17)21-10-11-28-31(21)14-15-4-5-15/h6-13,15H,4-5,14H2,1-3H3,(H,30,32).
What are the key properties of N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 130298804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).