1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide

C15H20N4O2 — CID 81037219

IUPAC1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
SMILESCCOCCN(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H20N4O2/c1-3-21-11-10-18(2)15(20)13-8-9-19(17-13)14-7-5-4-6-12(14)16/h4-9H,3,10-11,16H2,1-2H3
InChIKeyVSSWMRSHVBKHJG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide

1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 81037219) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
PubChem CID81037219
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
SMILESCCOCCN(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H20N4O2/c1-3-21-11-10-18(2)15(20)13-8-9-19(17-13)14-7-5-4-6-12(14)16/h4-9H,3,10-11,16H2,1-2H3
InChIKeyVSSWMRSHVBKHJG-UHFFFAOYSA-N
XLogP1.56
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
3-methoxypropyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61309225
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide (CID 81037219) is 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide is CCOCCN(C)C(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is VSSWMRSHVBKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-11-10-18(2)15(20)13-8-9-19(17-13)14-7-5-4-6-12(14)16/h4-9H,3,10-11,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide?
1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 81037219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).