methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate

C16H19N3O3 — CID 4996754

IUPACmethyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate
SMILESCOC(=O)N1CCCN1C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C16H19N3O3/c1-11-13(12-6-3-4-7-14(12)17-11)10-15(20)18-8-5-9-19(18)16(21)22-2/h3-4,6-7,17H,5,8-10H2,1-2H3
InChIKeyPWNMOFFDDUQFKW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.23
Rot. Bonds2

About methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate

methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate (PubChem CID 4996754) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate
PubChem CID4996754
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate
SMILESCOC(=O)N1CCCN1C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C16H19N3O3/c1-11-13(12-6-3-4-7-14(12)17-11)10-15(20)18-8-5-9-19(18)16(21)22-2/h3-4,6-7,17H,5,8-10H2,1-2H3
InChIKeyPWNMOFFDDUQFKW-UHFFFAOYSA-N
XLogP2.23
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 4994200
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3260115
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353
2-(2-methyl-1H-indol-3-yl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816958
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
1-(3-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 115874683
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 78852452

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate?
The IUPAC name of methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate (CID 4996754) is methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate is COC(=O)N1CCCN1C(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate?
The InChIKey is PWNMOFFDDUQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-13(12-6-3-4-7-14(12)17-11)10-15(20)18-8-5-9-19(18)16(21)22-2/h3-4,6-7,17H,5,8-10H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate?
methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidine-1-carboxylate is sourced from PubChem (CID 4996754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).