5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one

C12H16ClN3O — CID 104734713

IUPAC5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCCCCl)ccn2n1
InChIInChI=1S/C12H16ClN3O/c1-10-9-11-12(17)15(6-4-2-3-5-13)7-8-16(11)14-10/h7-9H,2-6H2,1H3
InChIKeyVEYYCWULJYUFBI-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.21
Rot. Bonds5

About 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734713) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734713
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCCCCCl)ccn2n1
InChIInChI=1S/C12H16ClN3O/c1-10-9-11-12(17)15(6-4-2-3-5-13)7-8-16(11)14-10/h7-9H,2-6H2,1H3
InChIKeyVEYYCWULJYUFBI-UHFFFAOYSA-N
XLogP2.21
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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-(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
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735476
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
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
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104734713) is 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CCCCCCl)ccn2n1.
What is the InChIKey of 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VEYYCWULJYUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-10-9-11-12(17)15(6-4-2-3-5-13)7-8-16(11)14-10/h7-9H,2-6H2,1H3.
What are the key properties of 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 253.73 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).