2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one

C14H22N4O — CID 104735472

IUPAC2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCCNC(C)C)ccn2n1
InChIInChI=1S/C14H22N4O/c1-11(2)15-6-4-5-7-17-8-9-18-13(14(17)19)10-12(3)16-18/h8-11,15H,4-7H2,1-3H3
InChIKeyGLOMNBSRUUPIBD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.58
Rot. Bonds6

About 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one

2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735472) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735472
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCCNC(C)C)ccn2n1
InChIInChI=1S/C14H22N4O/c1-11(2)15-6-4-5-7-17-8-9-18-13(14(17)19)10-12(3)16-18/h8-11,15H,4-7H2,1-3H3
InChIKeyGLOMNBSRUUPIBD-UHFFFAOYSA-N
XLogP1.58
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(ethylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734854
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
2-methyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735168
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735476
2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one
CID 103073030
5-(4-hydroxyhexyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 106802608
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
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735472) is 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CCCCNC(C)C)ccn2n1.
What is the InChIKey of 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GLOMNBSRUUPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)15-6-4-5-7-17-8-9-18-13(14(17)19)10-12(3)16-18/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one?
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 262.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).