4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide

C14H19N5O — CID 80681461

IUPAC4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCc1cnn(C)c1
InChIInChI=1S/C14H19N5O/c1-16-14(20)12-4-3-11(15)7-13(12)17-6-5-10-8-18-19(2)9-10/h3-4,7-9,17H,5-6,15H2,1-2H3,(H,16,20)
InChIKeyGVGKXAPGTUXSJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.02
Rot. Bonds5

About 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide

4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide (PubChem CID 80681461) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
PubChem CID80681461
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCc1cnn(C)c1
InChIInChI=1S/C14H19N5O/c1-16-14(20)12-4-3-11(15)7-13(12)17-6-5-10-8-18-19(2)9-10/h3-4,7-9,17H,5-6,15H2,1-2H3,(H,16,20)
InChIKeyGVGKXAPGTUXSJI-UHFFFAOYSA-N
XLogP1.02
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106414056
2,3-difluoro-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 80688629
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106036023
2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80686591
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 112579297

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide (CID 80681461) is 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide is CNC(=O)c1ccc(N)cc1NCCc1cnn(C)c1.
What is the InChIKey of 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
The InChIKey is GVGKXAPGTUXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-16-14(20)12-4-3-11(15)7-13(12)17-6-5-10-8-18-19(2)9-10/h3-4,7-9,17H,5-6,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide?
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide is sourced from PubChem (CID 80681461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).