4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one

C14H17N3O2 — CID 103995212

IUPAC4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one
SMILESNc1c(-c2ccccc2)[nH]n(C2CCCC2O)c1=O
InChIInChI=1S/C14H17N3O2/c15-12-13(9-5-2-1-3-6-9)16-17(14(12)19)10-7-4-8-11(10)18/h1-3,5-6,10-11,16,18H,4,7-8,15H2
InChIKeyZRNKPEVIPQIKBC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds2

About 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one

4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 103995212) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID103995212
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one
SMILESNc1c(-c2ccccc2)[nH]n(C2CCCC2O)c1=O
InChIInChI=1S/C14H17N3O2/c15-12-13(9-5-2-1-3-6-9)16-17(14(12)19)10-7-4-8-11(10)18/h1-3,5-6,10-11,16,18H,4,7-8,15H2
InChIKeyZRNKPEVIPQIKBC-UHFFFAOYSA-N
XLogP1.51
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one (CID 103995212) is 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one is Nc1c(-c2ccccc2)[nH]n(C2CCCC2O)c1=O.
What is the InChIKey of 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is ZRNKPEVIPQIKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-12-13(9-5-2-1-3-6-9)16-17(14(12)19)10-7-4-8-11(10)18/h1-3,5-6,10-11,16,18H,4,7-8,15H2.
What are the key properties of 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one?
4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxycyclopentyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).