4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

C14H17N3O2 — CID 82700520

IUPAC4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCCc1cc(CC)n(Cc2ccnc(C(=O)O)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-11-8-12(4-2)17(16-11)9-10-5-6-15-13(7-10)14(18)19/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyPSDJDAJZWSUBAZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.15
Rot. Bonds5

About 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 82700520) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID82700520
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCCc1cc(CC)n(Cc2ccnc(C(=O)O)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-11-8-12(4-2)17(16-11)9-10-5-6-15-13(7-10)14(18)19/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyPSDJDAJZWSUBAZ-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (CID 82700520) is 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is CCc1cc(CC)n(Cc2ccnc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is PSDJDAJZWSUBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-11-8-12(4-2)17(16-11)9-10-5-6-15-13(7-10)14(18)19/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 82700520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).