5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C19H19FN4 — CID 118048281

IUPAC5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccnc1-c1cc2n(n1)CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C19H19FN4/c1-14-4-3-7-21-19(14)18-11-17-13-23(8-9-24(17)22-18)12-15-5-2-6-16(20)10-15/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyIBQXIBSDRDYSLV-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.41
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 118048281) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID118048281
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccnc1-c1cc2n(n1)CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C19H19FN4/c1-14-4-3-7-21-19(14)18-11-17-13-23(8-9-24(17)22-18)12-15-5-2-6-16(20)10-15/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyIBQXIBSDRDYSLV-UHFFFAOYSA-N
XLogP3.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 118048281) is 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1cccnc1-c1cc2n(n1)CCN(Cc1cccc(F)c1)C2.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is IBQXIBSDRDYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-14-4-3-7-21-19(14)18-11-17-13-23(8-9-24(17)22-18)12-15-5-2-6-16(20)10-15/h2-7,10-11H,8-9,12-13H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 322.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118048281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).