3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid

C13H15N3O2 — CID 107525280

IUPAC3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCC(C)c1nn(C)cc1-c1cccnc1C(=O)O
InChIInChI=1S/C13H15N3O2/c1-8(2)11-10(7-16(3)15-11)9-5-4-6-14-12(9)13(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyZYWXOZRKGMFVGO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.30
Rot. Bonds3

About 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid

3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 107525280) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
PubChem CID107525280
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCC(C)c1nn(C)cc1-c1cccnc1C(=O)O
InChIInChI=1S/C13H15N3O2/c1-8(2)11-10(7-16(3)15-11)9-5-4-6-14-12(9)13(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyZYWXOZRKGMFVGO-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid (CID 107525280) is 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid is CC(C)c1nn(C)cc1-c1cccnc1C(=O)O.
What is the InChIKey of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is ZYWXOZRKGMFVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)11-10(7-16(3)15-11)9-5-4-6-14-12(9)13(17)18/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid?
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107525280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).