2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one

C14H14N4O2 — CID 104735086

IUPAC2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CC(=O)c3ccn(C)c3)ccn2n1
InChIInChI=1S/C14H14N4O2/c1-10-7-12-14(20)17(5-6-18(12)15-10)9-13(19)11-3-4-16(2)8-11/h3-8H,9H2,1-2H3
InChIKeyCGVSSDKDUHVEBO-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.03
Rot. Bonds3

About 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one

2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735086) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735086
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CC(=O)c3ccn(C)c3)ccn2n1
InChIInChI=1S/C14H14N4O2/c1-10-7-12-14(20)17(5-6-18(12)15-10)9-13(19)11-3-4-16(2)8-11/h3-8H,9H2,1-2H3
InChIKeyCGVSSDKDUHVEBO-UHFFFAOYSA-N
XLogP1.03
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735096
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid
CID 104734629
2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one
CID 103073030
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446776
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735086) is 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CC(=O)c3ccn(C)c3)ccn2n1.
What is the InChIKey of 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CGVSSDKDUHVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-7-12-14(20)17(5-6-18(12)15-10)9-13(19)11-3-4-16(2)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 270.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).