2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide

C15H17F3N6O2 — CID 137336429

IUPAC2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2cnc(C(N)=O)cn2)n1
InChIInChI=1S/C15H17F3N6O2/c1-8(7-24-12(15(16,17)18)3-9(2)23-24)4-22-14(26)11-6-20-10(5-21-11)13(19)25/h3,5-6,8H,4,7H2,1-2H3,(H2,19,25)(H,22,26)
InChIKeyBQGSYDLHAIASFG-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.17
Rot. Bonds6

About 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide

2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide (PubChem CID 137336429) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide
PubChem CID137336429
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2cnc(C(N)=O)cn2)n1
InChIInChI=1S/C15H17F3N6O2/c1-8(7-24-12(15(16,17)18)3-9(2)23-24)4-22-14(26)11-6-20-10(5-21-11)13(19)25/h3,5-6,8H,4,7H2,1-2H3,(H2,19,25)(H,22,26)
InChIKeyBQGSYDLHAIASFG-UHFFFAOYSA-N
XLogP1.17
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide?
The IUPAC name of 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide (CID 137336429) is 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2cnc(C(N)=O)cn2)n1.
What is the InChIKey of 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide?
The InChIKey is BQGSYDLHAIASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-8(7-24-12(15(16,17)18)3-9(2)23-24)4-22-14(26)11-6-20-10(5-21-11)13(19)25/h3,5-6,8H,4,7H2,1-2H3,(H2,19,25)(H,22,26).
What are the key properties of 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide?
2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide has a molecular weight of 370.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 137336429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).