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

C7H8N4O2 — CID 82409209

IUPAC5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one
SMILESCc1cnc(N2N=C(N)CC2=O)o1
InChIInChI=1S/C7H8N4O2/c1-4-3-9-7(13-4)11-6(12)2-5(8)10-11/h3H,2H2,1H3,(H2,8,10)
InChIKeyVWLVDVMIWXSIMV-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.01
Rot. Bonds1

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

5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one (PubChem CID 82409209) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one
PubChem CID82409209
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one
SMILESCc1cnc(N2N=C(N)CC2=O)o1
InChIInChI=1S/C7H8N4O2/c1-4-3-9-7(13-4)11-6(12)2-5(8)10-11/h3H,2H2,1H3,(H2,8,10)
InChIKeyVWLVDVMIWXSIMV-UHFFFAOYSA-N
XLogP-0.01
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one (CID 82409209) is 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one is Cc1cnc(N2N=C(N)CC2=O)o1.
What is the InChIKey of 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one?
The InChIKey is VWLVDVMIWXSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-4-3-9-7(13-4)11-6(12)2-5(8)10-11/h3H,2H2,1H3,(H2,8,10).
What are the key properties of 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one?
5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one has a molecular weight of 180.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 82409209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).