5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C16H24N4O — CID 104735476

IUPAC5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCNC3CCCCC3)ccn2n1
InChIInChI=1S/C16H24N4O/c1-13-12-15-16(21)19(10-11-20(15)18-13)9-5-8-17-14-6-3-2-4-7-14/h10-12,14,17H,2-9H2,1H3
InChIKeyBENIXIFODMSQIQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds5

About 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735476) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735476
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCNC3CCCCC3)ccn2n1
InChIInChI=1S/C16H24N4O/c1-13-12-15-16(21)19(10-11-20(15)18-13)9-5-8-17-14-6-3-2-4-7-14/h10-12,14,17H,2-9H2,1H3
InChIKeyBENIXIFODMSQIQ-UHFFFAOYSA-N
XLogP2.12
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.12
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
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
5-[2-[2-(ethylamino)cyclopentyl]ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734847
1-[3-(cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
1-[3-(cyclohexylamino)propyl]-3-ethylimidazol-2-one
CID 80582495
5-[2-cyclopentyl-2-(ethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104748238
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
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
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104735476) is 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CCCNC3CCCCC3)ccn2n1.
What is the InChIKey of 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is BENIXIFODMSQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-12-15-16(21)19(10-11-20(15)18-13)9-5-8-17-14-6-3-2-4-7-14/h10-12,14,17H,2-9H2,1H3.
What are the key properties of 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 288.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).