[2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone

C19H18N4O — CID 155534147

IUPAC[2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
SMILESCc1ccnc(-c2cc3n(n2)CCN(C(=O)c2ccccc2)C3)c1
InChIInChI=1S/C19H18N4O/c1-14-7-8-20-17(11-14)18-12-16-13-22(9-10-23(16)21-18)19(24)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyAXWXGSCINRZVGZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.91
Rot. Bonds2

About [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone

[2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone (PubChem CID 155534147) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
PubChem CID155534147
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name[2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
SMILESCc1ccnc(-c2cc3n(n2)CCN(C(=O)c2ccccc2)C3)c1
InChIInChI=1S/C19H18N4O/c1-14-7-8-20-17(11-14)18-12-16-13-22(9-10-23(16)21-18)19(24)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyAXWXGSCINRZVGZ-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
The IUPAC name of [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone (CID 155534147) is [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
The canonical SMILES for [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone is Cc1ccnc(-c2cc3n(n2)CCN(C(=O)c2ccccc2)C3)c1.
What is the InChIKey of [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
The InChIKey is AXWXGSCINRZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-7-8-20-17(11-14)18-12-16-13-22(9-10-23(16)21-18)19(24)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone?
[2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone has a molecular weight of 318.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone is sourced from PubChem (CID 155534147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).