N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide

C16H22N4O — CID 61237766

IUPACN-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCCc1c(C)nn(CC(=O)N(C)c2ccc(N)cc2)c1C
InChIInChI=1S/C16H22N4O/c1-5-15-11(2)18-20(12(15)3)10-16(21)19(4)14-8-6-13(17)7-9-14/h6-9H,5,10,17H2,1-4H3
InChIKeyWMPOLARTJNDHNV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds4

About N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide

N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide (PubChem CID 61237766) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
PubChem CID61237766
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCCc1c(C)nn(CC(=O)N(C)c2ccc(N)cc2)c1C
InChIInChI=1S/C16H22N4O/c1-5-15-11(2)18-20(12(15)3)10-16(21)19(4)14-8-6-13(17)7-9-14/h6-9H,5,10,17H2,1-4H3
InChIKeyWMPOLARTJNDHNV-UHFFFAOYSA-N
XLogP2.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
CID 106934214
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
N-(4-aminophenyl)-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66311085
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 43376263
N-(4-aminophenyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62961589
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647654
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
CID 61236507

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide (CID 61237766) is N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide is CCc1c(C)nn(CC(=O)N(C)c2ccc(N)cc2)c1C.
What is the InChIKey of N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is WMPOLARTJNDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-15-11(2)18-20(12(15)3)10-16(21)19(4)14-8-6-13(17)7-9-14/h6-9H,5,10,17H2,1-4H3.
What are the key properties of N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 61237766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).