N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide

C15H19N5O2 — CID 155803031

IUPACN-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
SMILESN#CN1CCC(NC(=O)C2CC(c3ccccc3O)NN2)C1
InChIInChI=1S/C15H19N5O2/c16-9-20-6-5-10(8-20)17-15(22)13-7-12(18-19-13)11-3-1-2-4-14(11)21/h1-4,10,12-13,18-19,21H,5-8H2,(H,17,22)
InChIKeyWZZOUOJEXOQCQM-UHFFFAOYSA-N
MW301.35 g/mol
LogP-0.03
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide

N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 155803031) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
PubChem CID155803031
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
SMILESN#CN1CCC(NC(=O)C2CC(c3ccccc3O)NN2)C1
InChIInChI=1S/C15H19N5O2/c16-9-20-6-5-10(8-20)17-15(22)13-7-12(18-19-13)11-3-1-2-4-14(11)21/h1-4,10,12-13,18-19,21H,5-8H2,(H,17,22)
InChIKeyWZZOUOJEXOQCQM-UHFFFAOYSA-N
XLogP-0.03
TPSA100.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide (CID 155803031) is N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide is N#CN1CCC(NC(=O)C2CC(c3ccccc3O)NN2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is WZZOUOJEXOQCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-9-20-6-5-10(8-20)17-15(22)13-7-12(18-19-13)11-3-1-2-4-14(11)21/h1-4,10,12-13,18-19,21H,5-8H2,(H,17,22).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 155803031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).