5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole

C14H14N4O3 — CID 86704213

IUPAC5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CCn3cc([N+](=O)[O-])cn3)c2c1
InChIInChI=1S/C14H14N4O3/c1-21-12-2-3-14-13(6-12)10(7-15-14)4-5-17-9-11(8-16-17)18(19)20/h2-3,6-9,15H,4-5H2,1H3
InChIKeyUGEDKQAVZOTHHD-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.52
Rot. Bonds5

About 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole

5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole (PubChem CID 86704213) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole
PubChem CID86704213
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CCn3cc([N+](=O)[O-])cn3)c2c1
InChIInChI=1S/C14H14N4O3/c1-21-12-2-3-14-13(6-12)10(7-15-14)4-5-17-9-11(8-16-17)18(19)20/h2-3,6-9,15H,4-5H2,1H3
InChIKeyUGEDKQAVZOTHHD-UHFFFAOYSA-N
XLogP2.52
TPSA85.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71925265
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333
2-bromo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitroaniline
CID 24850653
3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 171934294
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271715
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine;2,4,6-trinitrophenol
CID 90472876
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105209
(4R)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(4-nitrophenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51718753

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole (CID 86704213) is 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole is COc1ccc2[nH]cc(CCn3cc([N+](=O)[O-])cn3)c2c1.
What is the InChIKey of 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole?
The InChIKey is UGEDKQAVZOTHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-21-12-2-3-14-13(6-12)10(7-15-14)4-5-17-9-11(8-16-17)18(19)20/h2-3,6-9,15H,4-5H2,1H3.
What are the key properties of 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole?
5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole has a molecular weight of 286.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 86704213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).