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

C15H16N4O — CID 106217820

IUPAC3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(C#CCN)c1)c1cn[nH]c1
InChIInChI=1S/C15H16N4O/c1-11(14-9-17-18-10-14)19-15(20)13-6-2-4-12(8-13)5-3-7-16/h2,4,6,8-11H,7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyLDDAIVWRWZAJIF-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.21
Rot. Bonds3

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

3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106217820) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106217820
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(C#CCN)c1)c1cn[nH]c1
InChIInChI=1S/C15H16N4O/c1-11(14-9-17-18-10-14)19-15(20)13-6-2-4-12(8-13)5-3-7-16/h2,4,6,8-11H,7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyLDDAIVWRWZAJIF-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-2-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217826
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217837
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488
3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 61466129
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
CID 103856534
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217781
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 60821779

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106217820) is 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1cccc(C#CCN)c1)c1cn[nH]c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is LDDAIVWRWZAJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(14-9-17-18-10-14)19-15(20)13-6-2-4-12(8-13)5-3-7-16/h2,4,6,8-11H,7,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 268.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106217820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).