2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride

C₁₉H₁₇ClF₄N₄ — CID 170328157

About 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride

2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride (PubChem CID 170328157) has the molecular formula C₁₉H₁₇ClF₄N₄ and a molecular weight of 412.82 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
• PubChem CID: 170328157
• Molecular Formula: C₁₉H₁₇ClF₄N₄
• Molecular Weight: 412.82 g/mol
• Exact Mass: 412.11
• IUPAC Name: 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
• SMILES: CC1Cn2nc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3)c2CN1.[Cl-].[H+]
• InChI: InChI=1S/C19H16F4N4.ClH/c1-11-10-27-16(9-25-11)17(12-4-6-24-7-5-12)18(26-27)14-3-2-13(8-15(14)20)19(21,22)23;/h2-8,11,25H,9-10H2,1H3;1H
• InChIKey: LNUGCEXVWAMRJD-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.82
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?

The IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride (CID 170328157) is 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride.

What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?

The canonical SMILES for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride is CC1Cn2nc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3)c2CN1.[Cl-].[H+].

What is the InChIKey of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?

The InChIKey is LNUGCEXVWAMRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4.ClH/c1-11-10-27-16(9-25-11)17(12-4-6-24-7-5-12)18(26-27)14-3-2-13(8-15(14)20)19(21,22)23;/h2-8,11,25H,9-10H2,1H3;1H.

What are the key properties of 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride?

2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride has a molecular weight of 412.82 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride is sourced from PubChem (CID 170328157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170328157 — identifiers, structure, computed properties (public domain)

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