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

IUPAC2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
SMILESCC1Cn2nc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3)c2CN1.[Cl-].[H+]
InChIInChI=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
InChIKeyLNUGCEXVWAMRJD-UHFFFAOYSA-N
MW412.82 g/mol
LogP1.38
Rot. Bonds2

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 Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
PubChem CID170328157
Molecular FormulaC19H17ClF4N4
Molecular Weight412.82 g/mol
Exact Mass412.11
IUPAC Name2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
SMILESCC1Cn2nc(-c3ccc(C(F)(F)F)cc3F)c(-c3ccncc3)c2CN1.[Cl-].[H+]
InChIInChI=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
InChIKeyLNUGCEXVWAMRJD-UHFFFAOYSA-N
XLogP1.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.82
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).