2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H11F3N8O — CID 134353877

IUPAC2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)c1
InChIInChI=1S/C13H11F3N8O/c1-7-5-17-24(6-7)10-8(3-4-9(18-10)13(14,15)16)11(25)19-12-20-21-22-23(12)2/h3-6H,1-2H3,(H,19,20,22,25)
InChIKeyYOBIXQAJNZYFRJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 134353877) has the molecular formula C13H11F3N8O and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID134353877
Molecular FormulaC13H11F3N8O
Molecular Weight352.28 g/mol
Exact Mass352.10
IUPAC Name2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)c1
InChIInChI=1S/C13H11F3N8O/c1-7-5-17-24(6-7)10-8(3-4-9(18-10)13(14,15)16)11(25)19-12-20-21-22-23(12)2/h3-6H,1-2H3,(H,19,20,22,25)
InChIKeyYOBIXQAJNZYFRJ-UHFFFAOYSA-N
XLogP1.37
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 134353877) is 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cnn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YOBIXQAJNZYFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N8O/c1-7-5-17-24(6-7)10-8(3-4-9(18-10)13(14,15)16)11(25)19-12-20-21-22-23(12)2/h3-6H,1-2H3,(H,19,20,22,25).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 134353877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).