1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

C26H27N5O2 — CID 91955616

IUPAC1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCCC(c1ccccc1)n1nccc1NC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H27N5O2/c1-2-22(18-8-4-3-5-9-18)31-24(14-15-28-31)29-26(33)23-12-13-25(32)30(23)17-19-16-27-21-11-7-6-10-20(19)21/h3-11,14-16,22-23,27H,2,12-13,17H2,1H3,(H,29,33)
InChIKeyXZLJYNHZVYWDKE-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.49
Rot. Bonds7

About 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 91955616) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID91955616
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCCC(c1ccccc1)n1nccc1NC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H27N5O2/c1-2-22(18-8-4-3-5-9-18)31-24(14-15-28-31)29-26(33)23-12-13-25(32)30(23)17-19-16-27-21-11-7-6-10-20(19)21/h3-11,14-16,22-23,27H,2,12-13,17H2,1H3,(H,29,33)
InChIKeyXZLJYNHZVYWDKE-UHFFFAOYSA-N
XLogP4.49
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 91955616) is 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide is CCC(c1ccccc1)n1nccc1NC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is XZLJYNHZVYWDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-2-22(18-8-4-3-5-9-18)31-24(14-15-28-31)29-26(33)23-12-13-25(32)30(23)17-19-16-27-21-11-7-6-10-20(19)21/h3-11,14-16,22-23,27H,2,12-13,17H2,1H3,(H,29,33).
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91955616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).