4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide

C15H21N5O — CID 106104018

IUPAC4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCc1ccn(C)n1
InChIInChI=1S/C15H21N5O/c1-3-17-15(21)13-5-4-11(16)10-14(13)18-8-6-12-7-9-20(2)19-12/h4-5,7,9-10,18H,3,6,8,16H2,1-2H3,(H,17,21)
InChIKeyXHJDSOFADQNNFT-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.41
Rot. Bonds6

About 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide

4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide (PubChem CID 106104018) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
PubChem CID106104018
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCc1ccn(C)n1
InChIInChI=1S/C15H21N5O/c1-3-17-15(21)13-5-4-11(16)10-14(13)18-8-6-12-7-9-20(2)19-12/h4-5,7,9-10,18H,3,6,8,16H2,1-2H3,(H,17,21)
InChIKeyXHJDSOFADQNNFT-UHFFFAOYSA-N
XLogP1.41
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.41
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

5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106106257
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide (CID 106104018) is 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide is CCNC(=O)c1ccc(N)cc1NCCc1ccn(C)n1.
What is the InChIKey of 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
The InChIKey is XHJDSOFADQNNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-17-15(21)13-5-4-11(16)10-14(13)18-8-6-12-7-9-20(2)19-12/h4-5,7,9-10,18H,3,6,8,16H2,1-2H3,(H,17,21).
What are the key properties of 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide?
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106104018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).