2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane

C20H23N5O — CID 157129391

IUPAC2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane
SMILESC.CN(C)c1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C19H19N5O.CH4/c1-23(2)15-5-3-13(4-6-15)16-11-14(7-8-20-16)17-12-18-19(25)21-9-10-24(18)22-17;/h3-8,11-12H,9-10H2,1-2H3,(H,21,25);1H4
InChIKeyAIWOTIBQXSNITQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.06
Rot. Bonds3

About 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane

2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane (PubChem CID 157129391) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane
PubChem CID157129391
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane
SMILESC.CN(C)c1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C19H19N5O.CH4/c1-23(2)15-5-3-13(4-6-15)16-11-14(7-8-20-16)17-12-18-19(25)21-9-10-24(18)22-17;/h3-8,11-12H,9-10H2,1-2H3,(H,21,25);1H4
InChIKeyAIWOTIBQXSNITQ-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane (CID 157129391) is 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane is C.CN(C)c1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane?
The InChIKey is AIWOTIBQXSNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.CH4/c1-23(2)15-5-3-13(4-6-15)16-11-14(7-8-20-16)17-12-18-19(25)21-9-10-24(18)22-17;/h3-8,11-12H,9-10H2,1-2H3,(H,21,25);1H4.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane?
2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane has a molecular weight of 349.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;methane is sourced from PubChem (CID 157129391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).