N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide

C15H18FN5O — CID 146676345

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)C2CC(c3ccccc3F)NN2)C1
InChIInChI=1S/C15H18FN5O/c16-12-4-2-1-3-11(12)13-7-14(20-19-13)15(22)18-10-5-6-21(8-10)9-17/h1-4,10,13-14,19-20H,5-8H2,(H,18,22)/t10-,13?,14?/m1/s1
InChIKeyBOPMDIBHTBUQSZ-GWMXKSKGSA-N
MW303.34 g/mol
LogP0.40
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide (PubChem CID 146676345) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
PubChem CID146676345
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)C2CC(c3ccccc3F)NN2)C1
InChIInChI=1S/C15H18FN5O/c16-12-4-2-1-3-11(12)13-7-14(20-19-13)15(22)18-10-5-6-21(8-10)9-17/h1-4,10,13-14,19-20H,5-8H2,(H,18,22)/t10-,13?,14?/m1/s1
InChIKeyBOPMDIBHTBUQSZ-GWMXKSKGSA-N
XLogP0.40
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.40
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-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide (CID 146676345) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide is N#CN1CC[C@@H](NC(=O)C2CC(c3ccccc3F)NN2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is BOPMDIBHTBUQSZ-GWMXKSKGSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-12-4-2-1-3-11(12)13-7-14(20-19-13)15(22)18-10-5-6-21(8-10)9-17/h1-4,10,13-14,19-20H,5-8H2,(H,18,22)/t10-,13?,14?/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 0.40, 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-(2-fluorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 146676345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).