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

C15H14N4O2 — CID 104729300

IUPAC4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
SMILESCc1cc2c(NCc3ccc(C(=O)O)cc3)nccn2n1
InChIInChI=1S/C15H14N4O2/c1-10-8-13-14(16-6-7-19(13)18-10)17-9-11-2-4-12(5-3-11)15(20)21/h2-8H,9H2,1H3,(H,16,17)(H,20,21)
InChIKeyMGGVZSLCFSQGKK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.35
Rot. Bonds4

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

4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid (PubChem CID 104729300) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
PubChem CID104729300
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
SMILESCc1cc2c(NCc3ccc(C(=O)O)cc3)nccn2n1
InChIInChI=1S/C15H14N4O2/c1-10-8-13-14(16-6-7-19(13)18-10)17-9-11-2-4-12(5-3-11)15(20)21/h2-8H,9H2,1H3,(H,16,17)(H,20,21)
InChIKeyMGGVZSLCFSQGKK-UHFFFAOYSA-N
XLogP2.35
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzamide
CID 133489141
[4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]phenyl]urea
CID 133489118
5-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]furan-2-carboxylic acid
CID 104729690
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-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
3-fluoro-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]benzoic acid
CID 104729532
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731375

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid (CID 104729300) is 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid is Cc1cc2c(NCc3ccc(C(=O)O)cc3)nccn2n1.
What is the InChIKey of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid?
The InChIKey is MGGVZSLCFSQGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-8-13-14(16-6-7-19(13)18-10)17-9-11-2-4-12(5-3-11)15(20)21/h2-8H,9H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid?
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 104729300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).