2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide

C14H18N4O2 — CID 107463102

IUPAC2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C14H18N4O2/c1-4-12-13(8-18(2)17-12)16-14(19)10-6-5-9(20-3)7-11(10)15/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyWBGXIRNQBXBBPW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide (PubChem CID 107463102) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
PubChem CID107463102
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C14H18N4O2/c1-4-12-13(8-18(2)17-12)16-14(19)10-6-5-9(20-3)7-11(10)15/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyWBGXIRNQBXBBPW-UHFFFAOYSA-N
XLogP1.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.83
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

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide (CID 107463102) is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide is CCc1nn(C)cc1NC(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
The InChIKey is WBGXIRNQBXBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-12-13(8-18(2)17-12)16-14(19)10-6-5-9(20-3)7-11(10)15/h5-8H,4,15H2,1-3H3,(H,16,19).
What are the key properties of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide?
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 107463102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).