6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid

C14H13N5O3 — CID 148527421

IUPAC6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid
SMILESCOc1ccc(Cn2ncc3nc(C(=O)O)c(N)nc32)cc1
InChIInChI=1S/C14H13N5O3/c1-22-9-4-2-8(3-5-9)7-19-13-10(6-16-19)17-11(14(20)21)12(15)18-13/h2-6H,7H2,1H3,(H2,15,18)(H,20,21)
InChIKeyMPPOTDDUXZTOFA-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.16
Rot. Bonds4

About 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid

6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid (PubChem CID 148527421) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid
PubChem CID148527421
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid
SMILESCOc1ccc(Cn2ncc3nc(C(=O)O)c(N)nc32)cc1
InChIInChI=1S/C14H13N5O3/c1-22-9-4-2-8(3-5-9)7-19-13-10(6-16-19)17-11(14(20)21)12(15)18-13/h2-6H,7H2,1H3,(H2,15,18)(H,20,21)
InChIKeyMPPOTDDUXZTOFA-UHFFFAOYSA-N
XLogP1.16
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252382
5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 13436393
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
5-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 126622966
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 67434499
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642733
5-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 102644508
2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 141389743
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid?
The IUPAC name of 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid (CID 148527421) is 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid is COc1ccc(Cn2ncc3nc(C(=O)O)c(N)nc32)cc1.
What is the InChIKey of 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid?
The InChIKey is MPPOTDDUXZTOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-22-9-4-2-8(3-5-9)7-19-13-10(6-16-19)17-11(14(20)21)12(15)18-13/h2-6H,7H2,1H3,(H2,15,18)(H,20,21).
What are the key properties of 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid?
6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 148527421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).