5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide

C13H16N4O2 — CID 104616428

IUPAC5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C13H16N4O2/c1-7-8(2)16-17-12(7)15-13(18)10-6-9(14)4-5-11(10)19-3/h4-6H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyHGIVFVPLWDRPJE-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.87
Rot. Bonds3

About 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide

5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide (PubChem CID 104616428) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
PubChem CID104616428
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C13H16N4O2/c1-7-8(2)16-17-12(7)15-13(18)10-6-9(14)4-5-11(10)19-3/h4-6H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyHGIVFVPLWDRPJE-UHFFFAOYSA-N
XLogP1.87
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.87
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

5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 154805189
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61092626
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide (CID 104616428) is 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
The InChIKey is HGIVFVPLWDRPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-8(2)16-17-12(7)15-13(18)10-6-9(14)4-5-11(10)19-3/h4-6H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide?
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 104616428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).