N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide

C16H16N4O2 — CID 75481972

IUPACN-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESC#Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(C)c2)c1
InChIInChI=1S/C16H16N4O2/c1-4-12-6-5-7-14(8-12)18-15(21)11-19(2)16(22)13-9-17-20(3)10-13/h1,5-10H,11H2,2-3H3,(H,18,21)
InChIKeyHGFYSCHMQFBQBF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide

N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 75481972) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID75481972
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESC#Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(C)c2)c1
InChIInChI=1S/C16H16N4O2/c1-4-12-6-5-7-14(8-12)18-15(21)11-19(2)16(22)13-9-17-20(3)10-13/h1,5-10H,11H2,2-3H3,(H,18,21)
InChIKeyHGFYSCHMQFBQBF-UHFFFAOYSA-N
XLogP1.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 75440945
4-butoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835518
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55810939
4-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 47049032
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 55958832
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55960356
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55810911
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 60549809
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55959084
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092284
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 60556788

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide (CID 75481972) is N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide is C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(C)c2)c1.
What is the InChIKey of N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is HGFYSCHMQFBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-4-12-6-5-7-14(8-12)18-15(21)11-19(2)16(22)13-9-17-20(3)10-13/h1,5-10H,11H2,2-3H3,(H,18,21).
What are the key properties of N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethynylanilino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 75481972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).