N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide

C16H21N5O4 — CID 134068660

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3NNC(C)C3[N+](=O)[O-])c2c1
InChIInChI=1S/C16H21N5O4/c1-9-15(21(23)24)14(20-19-9)16(22)17-6-5-10-8-18-13-4-3-11(25-2)7-12(10)13/h3-4,7-9,14-15,18-20H,5-6H2,1-2H3,(H,17,22)
InChIKeyRNHMQVAMGPOJJO-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.35
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide (PubChem CID 134068660) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide
PubChem CID134068660
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3NNC(C)C3[N+](=O)[O-])c2c1
InChIInChI=1S/C16H21N5O4/c1-9-15(21(23)24)14(20-19-9)16(22)17-6-5-10-8-18-13-4-3-11(25-2)7-12(10)13/h3-4,7-9,14-15,18-20H,5-6H2,1-2H3,(H,17,22)
InChIKeyRNHMQVAMGPOJJO-UHFFFAOYSA-N
XLogP0.35
TPSA121.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271715
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole
CID 23704768
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 16649057

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide (CID 134068660) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3NNC(C)C3[N+](=O)[O-])c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide?
The InChIKey is RNHMQVAMGPOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-9-15(21(23)24)14(20-19-9)16(22)17-6-5-10-8-18-13-4-3-11(25-2)7-12(10)13/h3-4,7-9,14-15,18-20H,5-6H2,1-2H3,(H,17,22).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-nitropyrazolidine-3-carboxamide is sourced from PubChem (CID 134068660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).