5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C15H17F3N4O — CID 54347577

IUPAC5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)c(C(N)=O)c1N
InChIInChI=1S/C15H17F3N4O/c1-14(2,3)22-12(19)10(13(20)23)11(21-22)8-4-6-9(7-5-8)15(16,17)18/h4-7H,19H2,1-3H3,(H2,20,23)
InChIKeyUDJJNRZMMUWPCA-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.01
Rot. Bonds2

About 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 54347577) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID54347577
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)c(C(N)=O)c1N
InChIInChI=1S/C15H17F3N4O/c1-14(2,3)22-12(19)10(13(20)23)11(21-22)8-4-6-9(7-5-8)15(16,17)18/h4-7H,19H2,1-3H3,(H2,20,23)
InChIKeyUDJJNRZMMUWPCA-UHFFFAOYSA-N
XLogP3.01
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 54347577) is 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CC(C)(C)n1nc(-c2ccc(C(F)(F)F)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is UDJJNRZMMUWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-14(2,3)22-12(19)10(13(20)23)11(21-22)8-4-6-9(7-5-8)15(16,17)18/h4-7H,19H2,1-3H3,(H2,20,23).
What are the key properties of 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 54347577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).