5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide

C13H16N4O2 — CID 104616600

IUPAC5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H16N4O2/c1-3-8-7-15-17-12(8)16-13(18)10-6-9(14)4-5-11(10)19-2/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMRVZSDMIRVAGSX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.82
Rot. Bonds4

About 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide

5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide (PubChem CID 104616600) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
PubChem CID104616600
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H16N4O2/c1-3-8-7-15-17-12(8)16-13(18)10-6-9(14)4-5-11(10)19-2/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMRVZSDMIRVAGSX-UHFFFAOYSA-N
XLogP1.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
CID 104616629
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616630
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 104616617
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methoxyphenyl)acetamide
CID 112697113
5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61092626
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide (CID 104616600) is 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide is CCc1cn[nH]c1NC(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
The InChIKey is MRVZSDMIRVAGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-8-7-15-17-12(8)16-13(18)10-6-9(14)4-5-11(10)19-2/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide?
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 104616600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).