5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H15F3N6O2 — CID 140862119

IUPAC5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H15F3N6O2/c1-11-17(19(30)27-16-7-6-12(8-26-16)20(21,22)23)18(24)29(28-11)14-5-3-2-4-13(14)15-9-25-10-31-15/h2-10H,24H2,1H3,(H,26,27,30)
InChIKeyGJRHMYZVCMJACO-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.08
Rot. Bonds4

About 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140862119) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID140862119
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H15F3N6O2/c1-11-17(19(30)27-16-7-6-12(8-26-16)20(21,22)23)18(24)29(28-11)14-5-3-2-4-13(14)15-9-25-10-31-15/h2-10H,24H2,1H3,(H,26,27,30)
InChIKeyGJRHMYZVCMJACO-UHFFFAOYSA-N
XLogP4.08
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140862119) is 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1nn(-c2ccccc2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is GJRHMYZVCMJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c1-11-17(19(30)27-16-7-6-12(8-26-16)20(21,22)23)18(24)29(28-11)14-5-3-2-4-13(14)15-9-25-10-31-15/h2-10H,24H2,1H3,(H,26,27,30).
What are the key properties of 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140862119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).