5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid

C12H13N3O2 — CID 63975657

IUPAC5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid
SMILESCCCn1nccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H13N3O2/c1-2-7-15-11(5-6-14-15)9-3-4-10(12(16)17)13-8-9/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyDIBQUSQWQVPAKI-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.05
Rot. Bonds4

About 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid

5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid (PubChem CID 63975657) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid
PubChem CID63975657
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid
SMILESCCCn1nccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H13N3O2/c1-2-7-15-11(5-6-14-15)9-3-4-10(12(16)17)13-8-9/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyDIBQUSQWQVPAKI-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid (CID 63975657) is 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid is CCCn1nccc1-c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid?
The InChIKey is DIBQUSQWQVPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-7-15-11(5-6-14-15)9-3-4-10(12(16)17)13-8-9/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid?
5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid has a molecular weight of 231.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylpyrazol-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63975657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).