2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide

C15H20N4O — CID 119741052

IUPAC2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)cc1C(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-10(14-9-19(3)18-11(14)2)17-15(20)8-12-4-6-13(16)7-5-12/h4-7,9-10H,8,16H2,1-3H3,(H,17,20)
InChIKeyWDAUZFQYVWIVSS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide

2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 119741052) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID119741052
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)cc1C(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-10(14-9-19(3)18-11(14)2)17-15(20)8-12-4-6-13(16)7-5-12/h4-7,9-10H,8,16H2,1-3H3,(H,17,20)
InChIKeyWDAUZFQYVWIVSS-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
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

5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 167861290
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
4-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-N-methylbenzamide
CID 63378518
1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 92635819
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide (CID 119741052) is 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)cc1C(C)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is WDAUZFQYVWIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(14-9-19(3)18-11(14)2)17-15(20)8-12-4-6-13(16)7-5-12/h4-7,9-10H,8,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 119741052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).