2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C14H18N4O2 — CID 81420789

IUPAC2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C14H18N4O2/c1-3-20-12-6-4-5-11(15)13(12)14(19)16-7-10-8-17-18-9(10)2/h4-6,8H,3,7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGBQLLMMRWITVBT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 81420789) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID81420789
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C14H18N4O2/c1-3-20-12-6-4-5-11(15)13(12)14(19)16-7-10-8-17-18-9(10)2/h4-6,8H,3,7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGBQLLMMRWITVBT-UHFFFAOYSA-N
XLogP1.63
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81420120
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide
CID 61003173
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 81420789) is 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is CCOc1cccc(N)c1C(=O)NCc1cn[nH]c1C.
What is the InChIKey of 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is GBQLLMMRWITVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-12-6-4-5-11(15)13(12)14(19)16-7-10-8-17-18-9(10)2/h4-6,8H,3,7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 81420789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).