2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C13H13F2N3 — CID 121484578

IUPAC2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nc(-c3ccc(F)cc3F)cc2CN1
InChIInChI=1S/C13H13F2N3/c1-8-7-18-10(6-16-8)5-13(17-18)11-3-2-9(14)4-12(11)15/h2-5,8,16H,6-7H2,1H3
InChIKeyKZRBDNVTJYOJSO-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.32
Rot. Bonds1

About 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 121484578) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID121484578
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nc(-c3ccc(F)cc3F)cc2CN1
InChIInChI=1S/C13H13F2N3/c1-8-7-18-10(6-16-8)5-13(17-18)11-3-2-9(14)4-12(11)15/h2-5,8,16H,6-7H2,1H3
InChIKeyKZRBDNVTJYOJSO-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 121484578) is 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC1Cn2nc(-c3ccc(F)cc3F)cc2CN1.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is KZRBDNVTJYOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-7-18-10(6-16-8)5-13(17-18)11-3-2-9(14)4-12(11)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 249.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121484578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).