N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide

C15H18N4O — CID 103117423

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCCC2CNc3ccccc32)n1
InChIInChI=1S/C15H18N4O/c1-19-9-7-14(18-19)15(20)16-8-6-11-10-17-13-5-3-2-4-12(11)13/h2-5,7,9,11,17H,6,8,10H2,1H3,(H,16,20)
InChIKeyJEFPGUIZFKLTHN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.75
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103117423) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID103117423
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCCC2CNc3ccccc32)n1
InChIInChI=1S/C15H18N4O/c1-19-9-7-14(18-19)15(20)16-8-6-11-10-17-13-5-3-2-4-12(11)13/h2-5,7,9,11,17H,6,8,10H2,1H3,(H,16,20)
InChIKeyJEFPGUIZFKLTHN-UHFFFAOYSA-N
XLogP1.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 24700732
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-propylpentanamide
CID 82985554
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24709286
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
CID 24709751
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methylpiperidine-1-carboxamide
CID 79158396
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
CID 43125233
4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide
CID 70924623
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 20579488
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 106390914
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide (CID 103117423) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCCC2CNc3ccccc32)n1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JEFPGUIZFKLTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-9-7-14(18-19)15(20)16-8-6-11-10-17-13-5-3-2-4-12(11)13/h2-5,7,9,11,17H,6,8,10H2,1H3,(H,16,20).
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103117423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).