4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid

C12H13N3O2 — CID 81229473

IUPAC4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1nn(-c2ccncc2C(=O)O)c(C)c1C
InChIInChI=1S/C12H13N3O2/c1-7-8(2)14-15(9(7)3)11-4-5-13-6-10(11)12(16)17/h4-6H,1-3H3,(H,16,17)
InChIKeySPQADTIHEYUAHM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.89
Rot. Bonds2

About 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid

4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 81229473) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID81229473
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1nn(-c2ccncc2C(=O)O)c(C)c1C
InChIInChI=1S/C12H13N3O2/c1-7-8(2)14-15(9(7)3)11-4-5-13-6-10(11)12(16)17/h4-6H,1-3H3,(H,16,17)
InChIKeySPQADTIHEYUAHM-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 81229473) is 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid is Cc1nn(-c2ccncc2C(=O)O)c(C)c1C.
What is the InChIKey of 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is SPQADTIHEYUAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-8(2)14-15(9(7)3)11-4-5-13-6-10(11)12(16)17/h4-6H,1-3H3,(H,16,17).
What are the key properties of 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81229473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).