3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile

C10H10N4O — CID 104734922

IUPAC3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
SMILESCc1cc2c(=O)n(CCC#N)ccn2n1
InChIInChI=1S/C10H10N4O/c1-8-7-9-10(15)13(4-2-3-11)5-6-14(9)12-8/h5-7H,2,4H2,1H3
InChIKeyZCJVIXGBPDHDEH-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.72
Rot. Bonds2

About 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile

3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile (PubChem CID 104734922) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
PubChem CID104734922
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
SMILESCc1cc2c(=O)n(CCC#N)ccn2n1
InChIInChI=1S/C10H10N4O/c1-8-7-9-10(15)13(4-2-3-11)5-6-14(9)12-8/h5-7H,2,4H2,1H3
InChIKeyZCJVIXGBPDHDEH-UHFFFAOYSA-N
XLogP0.72
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734854
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735171
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446776

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile?
The IUPAC name of 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile (CID 104734922) is 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile.
What is the SMILES notation for 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile?
The canonical SMILES for 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile is Cc1cc2c(=O)n(CCC#N)ccn2n1.
What is the InChIKey of 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile?
The InChIKey is ZCJVIXGBPDHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8-7-9-10(15)13(4-2-3-11)5-6-14(9)12-8/h5-7H,2,4H2,1H3.
What are the key properties of 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile?
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile has a molecular weight of 202.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile is sourced from PubChem (CID 104734922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).