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

C8H13N3O2 — CID 130570292

IUPAC4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCOC2)c(=O)c1N
InChIInChI=1S/C8H13N3O2/c1-5-7(9)8(12)11(10-5)6-2-3-13-4-6/h6,10H,2-4,9H2,1H3
InChIKeyKCYIFHCKHYYXEH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds1

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

4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one (PubChem CID 130570292) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one
PubChem CID130570292
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCOC2)c(=O)c1N
InChIInChI=1S/C8H13N3O2/c1-5-7(9)8(12)11(10-5)6-2-3-13-4-6/h6,10H,2-4,9H2,1H3
InChIKeyKCYIFHCKHYYXEH-UHFFFAOYSA-N
XLogP0.03
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one (CID 130570292) is 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one is Cc1[nH]n(C2CCOC2)c(=O)c1N.
What is the InChIKey of 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one?
The InChIKey is KCYIFHCKHYYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(9)8(12)11(10-5)6-2-3-13-4-6/h6,10H,2-4,9H2,1H3.
What are the key properties of 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one?
4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one has a molecular weight of 183.21 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-(oxolan-3-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 130570292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).