5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid

C12H14N4O2 — CID 114408260

IUPAC5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)c1ccn(-c2nc(C(=O)O)ccc2N)n1
InChIInChI=1S/C12H14N4O2/c1-7(2)9-5-6-16(15-9)11-8(13)3-4-10(14-11)12(17)18/h3-7H,13H2,1-2H3,(H,17,18)
InChIKeyIATBQEMMJOHHFH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.67
Rot. Bonds3

About 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid

5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 114408260) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID114408260
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)c1ccn(-c2nc(C(=O)O)ccc2N)n1
InChIInChI=1S/C12H14N4O2/c1-7(2)9-5-6-16(15-9)11-8(13)3-4-10(14-11)12(17)18/h3-7H,13H2,1-2H3,(H,17,18)
InChIKeyIATBQEMMJOHHFH-UHFFFAOYSA-N
XLogP1.67
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-propan-2-ylpyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517428
5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 114406421
5-amino-6-(4-carbamoylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 114408305
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173
5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 103537198
ethyl 4-amino-3-(3-propan-2-ylpyrazol-1-yl)benzoate
CID 82795971
5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 114405515
methyl 3-amino-4-(3-propan-2-ylpyrazol-1-yl)benzoate
CID 62489860
[4,6-dimethyl-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 62488465
1-(5,6-dimethyl-2-propan-2-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 94075570
1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 113317014
5-amino-6-(3-carbamoyl-3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 114082438

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid (CID 114408260) is 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid is CC(C)c1ccn(-c2nc(C(=O)O)ccc2N)n1.
What is the InChIKey of 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is IATBQEMMJOHHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7(2)9-5-6-16(15-9)11-8(13)3-4-10(14-11)12(17)18/h3-7H,13H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid?
5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114408260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).