3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C17H14F3N5 — CID 170327994

IUPAC3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1ccc(-c2nn3c(c2-c2ccncc2)CNCC3)cn1
InChIInChI=1S/C17H14F3N5/c18-17(19,20)14-2-1-12(9-23-14)16-15(11-3-5-21-6-4-11)13-10-22-7-8-25(13)24-16/h1-6,9,22H,7-8,10H2
InChIKeyGWGOOKKWOPIBNX-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.13
Rot. Bonds2

About 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 170327994) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID170327994
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1ccc(-c2nn3c(c2-c2ccncc2)CNCC3)cn1
InChIInChI=1S/C17H14F3N5/c18-17(19,20)14-2-1-12(9-23-14)16-15(11-3-5-21-6-4-11)13-10-22-7-8-25(13)24-16/h1-6,9,22H,7-8,10H2
InChIKeyGWGOOKKWOPIBNX-UHFFFAOYSA-N
XLogP3.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327906
2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170328201
tert-butyl 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170327843
2-(2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327738
2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327857
2-(5-chloro-2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327928
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
CID 170327631
hydron;2-(2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170327922
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
CID 170328030
2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 174144909

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 170327994) is 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is FC(F)(F)c1ccc(-c2nn3c(c2-c2ccncc2)CNCC3)cn1.
What is the InChIKey of 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is GWGOOKKWOPIBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c18-17(19,20)14-2-1-12(9-23-14)16-15(11-3-5-21-6-4-11)13-10-22-7-8-25(13)24-16/h1-6,9,22H,7-8,10H2.
What are the key properties of 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 345.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 170327994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).