N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide

C17H20N4O3 — CID 121092113

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H20N4O3/c1-19(17(23)13-10-20(2)18-16(13)24-3)11-15(22)21-9-8-12-6-4-5-7-14(12)21/h4-7,10H,8-9,11H2,1-3H3
InChIKeyIYVFMKRTRDNKOI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 121092113) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
PubChem CID121092113
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H20N4O3/c1-19(17(23)13-10-20(2)18-16(13)24-3)11-15(22)21-9-8-12-6-4-5-7-14(12)21/h4-7,10H,8-9,11H2,1-3H3
InChIKeyIYVFMKRTRDNKOI-UHFFFAOYSA-N
XLogP1.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55343590
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(2,3-dihydroindol-1-yl)-2-[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]ethanone
CID 91831700
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 8770055
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 121092281
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide (CID 121092113) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(C)CC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is IYVFMKRTRDNKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-19(17(23)13-10-20(2)18-16(13)24-3)11-15(22)21-9-8-12-6-4-5-7-14(12)21/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 121092113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).