5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid

C11H19N3O3 — CID 116631920

IUPAC5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(CCOC)Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C11H19N3O3/c1-4-14(5-6-17-3)8-10-9(11(15)16)7-12-13(10)2/h7H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyQJFJLTFUAWMGKH-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.59
Rot. Bonds7

About 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid

5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 116631920) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID116631920
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(CCOC)Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C11H19N3O3/c1-4-14(5-6-17-3)8-10-9(11(15)16)7-12-13(10)2/h7H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyQJFJLTFUAWMGKH-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[butyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631717
5-[[bis(2-ethoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632278
ethyl 5-[[bis(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631873
5-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632444
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632018
5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631752
5-(2-methoxyethylsulfonylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630467
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
1-methyl-5-[[methyl(pentan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631806
1-methyl-5-[[methyl-[3-(methylamino)propyl]amino]methyl]pyrazole-4-carboxylic acid
CID 116632250
5-(3-methoxypropylsulfanylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630063
5-[(E)-1-[2-methoxyethyl(methyl)amino]propylideneamino]-1-methylpyrazole-4-carboxylic acid
CID 169120553

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid (CID 116631920) is 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid is CCN(CCOC)Cc1c(C(=O)O)cnn1C.
What is the InChIKey of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is QJFJLTFUAWMGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-14(5-6-17-3)8-10-9(11(15)16)7-12-13(10)2/h7H,4-6,8H2,1-3H3,(H,15,16).
What are the key properties of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 116631920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).