2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C16H18N4O — CID 106217837

IUPAC2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C#CCN)c(C(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C16H18N4O/c1-11-5-6-13(4-3-7-17)15(8-11)16(21)20-12(2)14-9-18-19-10-14/h5-6,8-10,12H,7,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHENKASCSMWFTPS-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.52
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106217837) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106217837
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C#CCN)c(C(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C16H18N4O/c1-11-5-6-13(4-3-7-17)15(8-11)16(21)20-12(2)14-9-18-19-10-14/h5-6,8-10,12H,7,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyHENKASCSMWFTPS-UHFFFAOYSA-N
XLogP1.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]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

5-(3-aminoprop-1-ynyl)-2-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217826
3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217820
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217781
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
2-(3-aminoprop-1-ynyl)-N-(3-methoxy-2-methylpropyl)-5-methylbenzamide
CID 81112112
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-methylbenzamide
CID 83114640
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 104625743

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106217837) is 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is Cc1ccc(C#CCN)c(C(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is HENKASCSMWFTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-5-6-13(4-3-7-17)15(8-11)16(21)20-12(2)14-9-18-19-10-14/h5-6,8-10,12H,7,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 282.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106217837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).