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

C14H20N4O — CID 103073030

IUPAC2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESC=C(CNC(C)C)Cn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C14H20N4O/c1-10(2)15-8-11(3)9-17-5-6-18-13(14(17)19)7-12(4)16-18/h5-7,10,15H,3,8-9H2,1-2,4H3
InChIKeyQLTPBJHWRPFDJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.36
Rot. Bonds5

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

2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 103073030) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID103073030
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESC=C(CNC(C)C)Cn1ccn2nc(C)cc2c1=O
InChIInChI=1S/C14H20N4O/c1-10(2)15-8-11(3)9-17-5-6-18-13(14(17)19)7-12(4)16-18/h5-7,10,15H,3,8-9H2,1-2,4H3
InChIKeyQLTPBJHWRPFDJX-UHFFFAOYSA-N
XLogP1.36
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735168
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one
CID 103072780
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
2-methyl-5-[3-methyl-2-(methylamino)pentyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734849
2-methyl-5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735086
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835
1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrimidin-2-one
CID 103071590
5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one (CID 103073030) is 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one is C=C(CNC(C)C)Cn1ccn2nc(C)cc2c1=O.
What is the InChIKey of 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QLTPBJHWRPFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)15-8-11(3)9-17-5-6-18-13(14(17)19)7-12(4)16-18/h5-7,10,15H,3,8-9H2,1-2,4H3.
What are the key properties of 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one?
2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 260.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 103073030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).