N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide

C15H16N4O2 — CID 52978373

IUPACN-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(Nc1ncccc1O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C15H16N4O2/c20-13-7-4-8-16-14(13)17-15(21)12-9-11(18-19-12)10-5-2-1-3-6-10/h1-8,11-12,18-20H,9H2,(H,16,17,21)
InChIKeyBCQRUYJHIGDIOY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.33
Rot. Bonds3

About N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide

N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 52978373) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID52978373
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(Nc1ncccc1O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C15H16N4O2/c20-13-7-4-8-16-14(13)17-15(21)12-9-11(18-19-12)10-5-2-1-3-6-10/h1-8,11-12,18-20H,9H2,(H,16,17,21)
InChIKeyBCQRUYJHIGDIOY-UHFFFAOYSA-N
XLogP1.33
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide (CID 52978373) is N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide is O=C(Nc1ncccc1O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is BCQRUYJHIGDIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-13-7-4-8-16-14(13)17-15(21)12-9-11(18-19-12)10-5-2-1-3-6-10/h1-8,11-12,18-20H,9H2,(H,16,17,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide?
N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 52978373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).