5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid

C13H12N4O3 — CID 104729690

IUPAC5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc2c(NCc3ccc(C(=O)O)o3)nccn2n1
InChIInChI=1S/C13H12N4O3/c1-8-6-10-12(14-4-5-17(10)16-8)15-7-9-2-3-11(20-9)13(18)19/h2-6H,7H2,1H3,(H,14,15)(H,18,19)
InChIKeyTXVPZAZTHICUCS-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.94
Rot. Bonds4

About 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid

5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 104729690) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID104729690
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc2c(NCc3ccc(C(=O)O)o3)nccn2n1
InChIInChI=1S/C13H12N4O3/c1-8-6-10-12(14-4-5-17(10)16-8)15-7-9-2-3-11(20-9)13(18)19/h2-6H,7H2,1H3,(H,14,15)(H,18,19)
InChIKeyTXVPZAZTHICUCS-UHFFFAOYSA-N
XLogP1.94
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
CID 133489118
N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
CID 133489141
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104918883
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730975
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731011

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid (CID 104729690) is 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid is Cc1cc2c(NCc3ccc(C(=O)O)o3)nccn2n1.
What is the InChIKey of 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is TXVPZAZTHICUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-6-10-12(14-4-5-17(10)16-8)15-7-9-2-3-11(20-9)13(18)19/h2-6H,7H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid?
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 104729690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).