3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid

C15H19N3O2 — CID 19847535

IUPAC3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCCc1cccc(CC)c1Nc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H19N3O2/c1-4-10-7-6-8-11(5-2)13(10)16-14-12(15(19)20)9(3)17-18-14/h6-8H,4-5H2,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyMABLPQXIGXYYBR-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.28
Rot. Bonds5

About 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid

3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 19847535) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID19847535
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCCc1cccc(CC)c1Nc1n[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H19N3O2/c1-4-10-7-6-8-11(5-2)13(10)16-14-12(15(19)20)9(3)17-18-14/h6-8H,4-5H2,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyMABLPQXIGXYYBR-UHFFFAOYSA-N
XLogP3.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid (CID 19847535) is 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid is CCc1cccc(CC)c1Nc1n[nH]c(C)c1C(=O)O.
What is the InChIKey of 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is MABLPQXIGXYYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-10-7-6-8-11(5-2)13(10)16-14-12(15(19)20)9(3)17-18-14/h6-8H,4-5H2,1-3H3,(H,19,20)(H2,16,17,18).
What are the key properties of 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid?
3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 19847535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).