5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide

C13H16N4O2 — CID 123841690

IUPAC5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cn[nH]c1NCc1ccccc1
InChIInChI=1S/C13H16N4O2/c1-17(19-2)13(18)11-9-15-16-12(11)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16)
InChIKeyYAHYSDRZMZUSQV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.66
Rot. Bonds5

About 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide

5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 123841690) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID123841690
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cn[nH]c1NCc1ccccc1
InChIInChI=1S/C13H16N4O2/c1-17(19-2)13(18)11-9-15-16-12(11)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16)
InChIKeyYAHYSDRZMZUSQV-UHFFFAOYSA-N
XLogP1.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide
CID 24874387
4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
CID 11459527
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide
CID 139467089
5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183215
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
N-methoxy-N-methyl-5-(2-phenylethyl)pyridine-2-carboxamide
CID 175979322
N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide
CID 123784740
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
5-[(3,4-dibromothiophen-2-yl)methyl]-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
CID 172588206

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide (CID 123841690) is 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide is CON(C)C(=O)c1cn[nH]c1NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YAHYSDRZMZUSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(19-2)13(18)11-9-15-16-12(11)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide?
5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 123841690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).