5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid

C14H17N3O2 — CID 66022465

IUPAC5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCn1cc(-c2ccc(C(=O)O)nc2)c(C(C)(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)12-10(8-17(4)16-12)9-5-6-11(13(18)19)15-7-9/h5-8H,1-4H3,(H,18,19)
InChIKeyKCDMFGVNRZHXFB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds2

About 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid

5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 66022465) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid
PubChem CID66022465
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCn1cc(-c2ccc(C(=O)O)nc2)c(C(C)(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)12-10(8-17(4)16-12)9-5-6-11(13(18)19)15-7-9/h5-8H,1-4H3,(H,18,19)
InChIKeyKCDMFGVNRZHXFB-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid (CID 66022465) is 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid is Cn1cc(-c2ccc(C(=O)O)nc2)c(C(C)(C)C)n1.
What is the InChIKey of 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is KCDMFGVNRZHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)12-10(8-17(4)16-12)9-5-6-11(13(18)19)15-7-9/h5-8H,1-4H3,(H,18,19).
What are the key properties of 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid?
5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 66022465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).