3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C16H18N4O — CID 61439785

IUPAC3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C16H18N4O/c1-19(11-14-10-18-20(2)12-14)16(21)15-7-3-5-13(9-15)6-4-8-17/h3,5,7,9-10,12H,8,11,17H2,1-2H3
InChIKeyLCCRFQJFPQFEBW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.00
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 61439785) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID61439785
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C16H18N4O/c1-19(11-14-10-18-20(2)12-14)16(21)15-7-3-5-13(9-15)6-4-8-17/h3,5,7,9-10,12H,8,11,17H2,1-2H3
InChIKeyLCCRFQJFPQFEBW-UHFFFAOYSA-N
XLogP1.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 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

3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63208988
3-(3-aminoprop-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60822281
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 118785992
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-1,3,3-trimethylurea
CID 79154209
acetic acid;4-(3-aminopropoxy)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154904797
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 61439785) is 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is LCCRFQJFPQFEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19(11-14-10-18-20(2)12-14)16(21)15-7-3-5-13(9-15)6-4-8-17/h3,5,7,9-10,12H,8,11,17H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 282.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 61439785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).