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

C8H13N3O2 — CID 62712130

IUPAC3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one
SMILESNc1cc(=O)[nH]n1C1CCCC1O
InChIInChI=1S/C8H13N3O2/c9-7-4-8(13)10-11(7)5-2-1-3-6(5)12/h4-6,12H,1-3,9H2,(H,10,13)
InChIKeyKMEJMDLUSMJKDM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.16
Rot. Bonds1

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

3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one (PubChem CID 62712130) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one
PubChem CID62712130
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one
SMILESNc1cc(=O)[nH]n1C1CCCC1O
InChIInChI=1S/C8H13N3O2/c9-7-4-8(13)10-11(7)5-2-1-3-6(5)12/h4-6,12H,1-3,9H2,(H,10,13)
InChIKeyKMEJMDLUSMJKDM-UHFFFAOYSA-N
XLogP-0.16
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one?
The IUPAC name of 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one (CID 62712130) is 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one is Nc1cc(=O)[nH]n1C1CCCC1O.
What is the InChIKey of 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one?
The InChIKey is KMEJMDLUSMJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7-4-8(13)10-11(7)5-2-1-3-6(5)12/h4-6,12H,1-3,9H2,(H,10,13).
What are the key properties of 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one?
3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxycyclopentyl)-1H-pyrazol-5-one is sourced from PubChem (CID 62712130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).