N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide

C15H20N4O — CID 106049267

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C15H20N4O/c1-4-16-14-8-6-5-7-13(14)15(20)17-9-12-10-18-19(3)11(12)2/h5-8,10,16H,4,9H2,1-3H3,(H,17,20)
InChIKeyIIUYHUCSVMQGFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide (PubChem CID 106049267) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
PubChem CID106049267
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C15H20N4O/c1-4-16-14-8-6-5-7-13(14)15(20)17-9-12-10-18-19(3)11(12)2/h5-8,10,16H,4,9H2,1-3H3,(H,17,20)
InChIKeyIIUYHUCSVMQGFT-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106048121
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117
tert-butyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]benzoate
CID 122134451
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861041
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862411
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
CID 106049975

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide (CID 106049267) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide?
The InChIKey is IIUYHUCSVMQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-16-14-8-6-5-7-13(14)15(20)17-9-12-10-18-19(3)11(12)2/h5-8,10,16H,4,9H2,1-3H3,(H,17,20).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 106049267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).