2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide

C15H20N4O — CID 115988916

IUPAC2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H20N4O/c1-4-14-11(9-19(3)18-14)8-17-15(20)12-7-10(2)5-6-13(12)16/h5-7,9H,4,8,16H2,1-3H3,(H,17,20)
InChIKeyANDKSTDTHLNIRB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide

2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide (PubChem CID 115988916) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
PubChem CID115988916
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H20N4O/c1-4-14-11(9-19(3)18-14)8-17-15(20)12-7-10(2)5-6-13(12)16/h5-7,9H,4,8,16H2,1-3H3,(H,17,20)
InChIKeyANDKSTDTHLNIRB-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 105387234
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide (CID 115988916) is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide is CCc1nn(C)cc1CNC(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide?
The InChIKey is ANDKSTDTHLNIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-14-11(9-19(3)18-14)8-17-15(20)12-7-10(2)5-6-13(12)16/h5-7,9H,4,8,16H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide?
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 115988916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).