2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid

C10H9N5O3 — CID 155199574

IUPAC2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1nn(-c2cc(C(=O)O)ccn2)c(N=O)c1N
InChIInChI=1S/C10H9N5O3/c1-5-8(11)9(14-18)15(13-5)7-4-6(10(16)17)2-3-12-7/h2-4H,11H2,1H3,(H,16,17)
InChIKeyBEVZJZUWCNBSBO-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.25
Rot. Bonds3

About 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid

2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 155199574) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID155199574
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1nn(-c2cc(C(=O)O)ccn2)c(N=O)c1N
InChIInChI=1S/C10H9N5O3/c1-5-8(11)9(14-18)15(13-5)7-4-6(10(16)17)2-3-12-7/h2-4H,11H2,1H3,(H,16,17)
InChIKeyBEVZJZUWCNBSBO-UHFFFAOYSA-N
XLogP1.25
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid (CID 155199574) is 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid is Cc1nn(-c2cc(C(=O)O)ccn2)c(N=O)c1N.
What is the InChIKey of 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is BEVZJZUWCNBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-5-8(11)9(14-18)15(13-5)7-4-6(10(16)17)2-3-12-7/h2-4H,11H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid?
2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 155199574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).