N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide

C15H19N5O — CID 162370580

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)C2CC(c3ccccc3)NN2)C1
InChIInChI=1S/C15H19N5O/c16-10-20-7-6-12(9-20)17-15(21)14-8-13(18-19-14)11-4-2-1-3-5-11/h1-5,12-14,18-19H,6-9H2,(H,17,21)/t12-,13?,14?/m1/s1
InChIKeyLTFXZPUPSAFNHV-IYXRBSQSSA-N
MW285.35 g/mol
LogP0.27
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 162370580) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID162370580
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)C2CC(c3ccccc3)NN2)C1
InChIInChI=1S/C15H19N5O/c16-10-20-7-6-12(9-20)17-15(21)14-8-13(18-19-14)11-4-2-1-3-5-11/h1-5,12-14,18-19H,6-9H2,(H,17,21)/t12-,13?,14?/m1/s1
InChIKeyLTFXZPUPSAFNHV-IYXRBSQSSA-N
XLogP0.27
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide (CID 162370580) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide is N#CN1CC[C@@H](NC(=O)C2CC(c3ccccc3)NN2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is LTFXZPUPSAFNHV-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H19N5O/c16-10-20-7-6-12(9-20)17-15(21)14-8-13(18-19-14)11-4-2-1-3-5-11/h1-5,12-14,18-19H,6-9H2,(H,17,21)/t12-,13?,14?/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 162370580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).