2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

C16H23N5O — CID 51084274

IUPAC2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)NCCCn1cccn1
InChIInChI=1S/C16H23N5O/c1-19-10-2-6-14(19)15-7-3-13-21(15)16(22)17-8-4-11-20-12-5-9-18-20/h2,5-6,9-10,12,15H,3-4,7-8,11,13H2,1H3,(H,17,22)
InChIKeyRTYQTDRDPJUSDF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.16
Rot. Bonds5

About 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 51084274) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID51084274
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)NCCCn1cccn1
InChIInChI=1S/C16H23N5O/c1-19-10-2-6-14(19)15-7-3-13-21(15)16(22)17-8-4-11-20-12-5-9-18-20/h2,5-6,9-10,12,15H,3-4,7-8,11,13H2,1H3,(H,17,22)
InChIKeyRTYQTDRDPJUSDF-UHFFFAOYSA-N
XLogP2.16
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide (CID 51084274) is 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide is Cn1cccc1C1CCCN1C(=O)NCCCn1cccn1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is RTYQTDRDPJUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19-10-2-6-14(19)15-7-3-13-21(15)16(22)17-8-4-11-20-12-5-9-18-20/h2,5-6,9-10,12,15H,3-4,7-8,11,13H2,1H3,(H,17,22).
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51084274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).