2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C14H18N4O2 — CID 81420546

IUPAC2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C14H18N4O2/c1-18-9-10(8-17-18)6-7-16-14(19)13-11(15)4-3-5-12(13)20-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)
InChIKeyHRMZCOLFBCLQRS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 81420546) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID81420546
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C14H18N4O2/c1-18-9-10(8-17-18)6-7-16-14(19)13-11(15)4-3-5-12(13)20-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)
InChIKeyHRMZCOLFBCLQRS-UHFFFAOYSA-N
XLogP0.98
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
3-methoxy-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 113392755
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 112579297

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 81420546) is 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is COc1cccc(N)c1C(=O)NCCc1cnn(C)c1.
What is the InChIKey of 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is HRMZCOLFBCLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-9-10(8-17-18)6-7-16-14(19)13-11(15)4-3-5-12(13)20-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 81420546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).