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

C9H15N3O2 — CID 103995213

IUPAC4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCC2O)c(=O)c1N
InChIInChI=1S/C9H15N3O2/c1-5-8(10)9(14)12(11-5)6-3-2-4-7(6)13/h6-7,11,13H,2-4,10H2,1H3
InChIKeyAHRUAKOFTOHNQQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.15
Rot. Bonds1

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

4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 103995213) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
PubChem CID103995213
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCC2O)c(=O)c1N
InChIInChI=1S/C9H15N3O2/c1-5-8(10)9(14)12(11-5)6-3-2-4-7(6)13/h6-7,11,13H,2-4,10H2,1H3
InChIKeyAHRUAKOFTOHNQQ-UHFFFAOYSA-N
XLogP0.15
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.15
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-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one (CID 103995213) is 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(C2CCCC2O)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is AHRUAKOFTOHNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-8(10)9(14)12(11-5)6-3-2-4-7(6)13/h6-7,11,13H,2-4,10H2,1H3.
What are the key properties of 4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.15, 1 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-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).