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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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).