5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid

C8H13N3O3 — CID 142758448

IUPAC5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCOCCNc1c(C(=O)O)cnn1C
InChIInChI=1S/C8H13N3O3/c1-11-7(9-3-4-14-2)6(5-10-11)8(12)13/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyMPVZWPWXBJKDMF-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.18
Rot. Bonds5

About 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid

5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid (PubChem CID 142758448) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
PubChem CID142758448
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCOCCNc1c(C(=O)O)cnn1C
InChIInChI=1S/C8H13N3O3/c1-11-7(9-3-4-14-2)6(5-10-11)8(12)13/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyMPVZWPWXBJKDMF-UHFFFAOYSA-N
XLogP0.18
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
CID 69159232
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
5-(2-methoxyethylsulfonylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630467
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631574
5-(3-methoxypropylsulfanylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630063
5-(2-methoxyethylamino)-1-methyl-N-(6-tricyclo[5.2.1.04,8]dec-3-enyl)pyrazole-4-carboxamide
CID 118242482
5-[[ethyl(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631920
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631280
1-methyl-5-propoxypyrazole-4-carboxylic acid
CID 95732883
5-(1-methoxypropan-2-yloxymethyl)-1-methylpyrazole-4-carboxylic acid
CID 116629778

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid (CID 142758448) is 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid is COCCNc1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is MPVZWPWXBJKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11-7(9-3-4-14-2)6(5-10-11)8(12)13/h5,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid?
5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 142758448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).