diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium

C16H23N4O+ — CID 6932117

IUPACdiethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCC[NH+](CC)CC(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)12-16(21)17-15-11-13(3)18-20(15)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,17,21)/p+1
InChIKeyWOZVBVYHMNHTLR-UHFFFAOYSA-O
MW287.39 g/mol
LogP1.04
Rot. Bonds6

About diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium

diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 6932117) has the molecular formula C16H23N4O+ and a molecular weight of 287.39 g/mol. Its IUPAC name is diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
PubChem CID6932117
Molecular FormulaC16H23N4O+
Molecular Weight287.39 g/mol
Exact Mass287.19
IUPAC Namediethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCC[NH+](CC)CC(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)12-16(21)17-15-11-13(3)18-20(15)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,17,21)/p+1
InChIKeyWOZVBVYHMNHTLR-UHFFFAOYSA-O
XLogP1.04
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium
CID 9295216
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949
ethyl 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]but-2-enoate
CID 2888865
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7845278
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
CID 3549252
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728
ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate
CID 47082260
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 16502319

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium (CID 6932117) is diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium is CC[NH+](CC)CC(=O)Nc1cc(C)nn1-c1ccccc1.
What is the InChIKey of diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is WOZVBVYHMNHTLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O/c1-4-19(5-2)12-16(21)17-15-11-13(3)18-20(15)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,17,21)/p+1.
What are the key properties of diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium?
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 287.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 6932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).