2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C13H16N4O2 — CID 81420879

IUPAC2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c1-17(8-9-6-15-16-7-9)13(18)12-10(14)4-3-5-11(12)19-2/h3-7H,8,14H2,1-2H3,(H,15,16)
InChIKeyDXAWOBHGGDZFEG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 81420879) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID81420879
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCOc1cccc(N)c1C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c1-17(8-9-6-15-16-7-9)13(18)12-10(14)4-3-5-11(12)19-2/h3-7H,8,14H2,1-2H3,(H,15,16)
InChIKeyDXAWOBHGGDZFEG-UHFFFAOYSA-N
XLogP1.27
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.27
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-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
4-amino-N,1-dimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-5-carboxamide
CID 65359475
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443
2-amino-6-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 81393986
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107676711

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 81420879) is 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is COc1cccc(N)c1C(=O)N(C)Cc1cn[nH]c1.
What is the InChIKey of 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is DXAWOBHGGDZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(8-9-6-15-16-7-9)13(18)12-10(14)4-3-5-11(12)19-2/h3-7H,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 81420879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).