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

C15H19N3O2 — CID 19282116

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C15H19N3O2/c1-4-20-14-8-6-5-7-13(14)15(19)16-9-12-10-17-18(3)11(12)2/h5-8,10H,4,9H2,1-3H3,(H,16,19)
InChIKeyBPOAWDLPEASHIW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.06
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide (PubChem CID 19282116) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
PubChem CID19282116
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C15H19N3O2/c1-4-20-14-8-6-5-7-13(14)15(19)16-9-12-10-17-18(3)11(12)2/h5-8,10H,4,9H2,1-3H3,(H,16,19)
InChIKeyBPOAWDLPEASHIW-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide (CID 19282116) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
The InChIKey is BPOAWDLPEASHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-14-8-6-5-7-13(14)15(19)16-9-12-10-17-18(3)11(12)2/h5-8,10H,4,9H2,1-3H3,(H,16,19).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 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-ethoxybenzamide is sourced from PubChem (CID 19282116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).