(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C13H16F3N5 — CID 156863445

IUPAC(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@@H]1NCCc2c1nn(C)c2-c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C13H16F3N5/c1-7-11-8(4-5-17-7)12(21(3)19-11)9-6-10(13(14,15)16)20(2)18-9/h6-7,17H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyJXKAKPFMGPKFQE-ZETCQYMHSA-N
MW299.30 g/mol
LogP2.05
Rot. Bonds1

About (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 156863445) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID156863445
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESC[C@@H]1NCCc2c1nn(C)c2-c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C13H16F3N5/c1-7-11-8(4-5-17-7)12(21(3)19-11)9-6-10(13(14,15)16)20(2)18-9/h6-7,17H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyJXKAKPFMGPKFQE-ZETCQYMHSA-N
XLogP2.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

MK-1925
CID 44178080
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
(1S,3R)-3-fluoro-N-((5-(3-fluoro-5-(trifluoromethyl)phenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45269228
(1S,3R)-N-((5-(3,4-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270082
(1S,3R)-N-((1,4-dimethyl-5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270917
3-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384532
5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054568
3-(3-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 19614685
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
CID 44383991
2-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814123
3-(3-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384588
1-(5,6-Difluoro-3-methyl-1H-indazol-1-yl)propan-2-amine
CID 9859364

Frequently Asked Questions

What is the IUPAC name of (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 156863445) is (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is C[C@@H]1NCCc2c1nn(C)c2-c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is JXKAKPFMGPKFQE-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-7-11-8(4-5-17-7)12(21(3)19-11)9-6-10(13(14,15)16)20(2)18-9/h6-7,17H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 299.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 156863445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).