N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C13H13F3N4O — CID 138008710

IUPACN,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)n1
InChIInChI=1S/C13H13F3N4O/c1-8-5-4-6-11(17-8)19(2)12(21)9-7-10(13(14,15)16)20(3)18-9/h4-7H,1-3H3
InChIKeyVGKXPLIQCLXUBC-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.42
Rot. Bonds2

About N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 138008710) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID138008710
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)n1
InChIInChI=1S/C13H13F3N4O/c1-8-5-4-6-11(17-8)19(2)12(21)9-7-10(13(14,15)16)20(3)18-9/h4-7H,1-3H3
InChIKeyVGKXPLIQCLXUBC-UHFFFAOYSA-N
XLogP2.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 138008710) is N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1cccc(N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)n1.
What is the InChIKey of N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is VGKXPLIQCLXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-5-4-6-11(17-8)19(2)12(21)9-7-10(13(14,15)16)20(3)18-9/h4-7H,1-3H3.
What are the key properties of N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138008710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).