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

C13H13F2N3 — CID 121484577

IUPAC4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nccc2C(c2ccc(F)cc2F)N1
InChIInChI=1S/C13H13F2N3/c1-8-7-18-12(4-5-16-18)13(17-8)10-3-2-9(14)6-11(10)15/h2-6,8,13,17H,7H2,1H3
InChIKeyRSIPCPMLNMMZRX-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.24
Rot. Bonds1

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

4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 121484577) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID121484577
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nccc2C(c2ccc(F)cc2F)N1
InChIInChI=1S/C13H13F2N3/c1-8-7-18-12(4-5-16-18)13(17-8)10-3-2-9(14)6-11(10)15/h2-6,8,13,17H,7H2,1H3
InChIKeyRSIPCPMLNMMZRX-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 121484577) is 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC1Cn2nccc2C(c2ccc(F)cc2F)N1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is RSIPCPMLNMMZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-7-18-12(4-5-16-18)13(17-8)10-3-2-9(14)6-11(10)15/h2-6,8,13,17H,7H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
4-(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 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121484577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).