4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid

C15H16N4O3 — CID 167887533

IUPAC4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1cn2nc(C(=O)O)cc2c(NCCCc2ccco2)n1
InChIInChI=1S/C15H16N4O3/c1-10-9-19-13(8-12(18-19)15(20)21)14(17-10)16-6-2-4-11-5-3-7-22-11/h3,5,7-9H,2,4,6H2,1H3,(H,16,17)(H,20,21)
InChIKeyFCGVUNMZHFXVSS-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.37
Rot. Bonds6

About 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid

4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 167887533) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID167887533
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1cn2nc(C(=O)O)cc2c(NCCCc2ccco2)n1
InChIInChI=1S/C15H16N4O3/c1-10-9-19-13(8-12(18-19)15(20)21)14(17-10)16-6-2-4-11-5-3-7-22-11/h3,5,7-9H,2,4,6H2,1H3,(H,16,17)(H,20,21)
InChIKeyFCGVUNMZHFXVSS-UHFFFAOYSA-N
XLogP2.37
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
CID 137335001
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490683
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55242302
N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 56759259
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
CID 108787804
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 82376236

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 167887533) is 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid is Cc1cn2nc(C(=O)O)cc2c(NCCCc2ccco2)n1.
What is the InChIKey of 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is FCGVUNMZHFXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-9-19-13(8-12(18-19)15(20)21)14(17-10)16-6-2-4-11-5-3-7-22-11/h3,5,7-9H,2,4,6H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167887533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).