5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one

C15H15N5O2 — CID 98312732

IUPAC5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2n[nH]c([C@H]3CCOC3)n2)[nH]n1-c1ccccc1
InChIInChI=1S/C15H15N5O2/c21-13-8-12(19-20(13)11-4-2-1-3-5-11)15-16-14(17-18-15)10-6-7-22-9-10/h1-5,8,10,19H,6-7,9H2,(H,16,17,18)/t10-/m0/s1
InChIKeyFKYAVPATMYVHGB-JTQLQIEISA-N
MW297.32 g/mol
LogP1.45
Rot. Bonds3

About 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one

5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 98312732) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one
PubChem CID98312732
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2n[nH]c([C@H]3CCOC3)n2)[nH]n1-c1ccccc1
InChIInChI=1S/C15H15N5O2/c21-13-8-12(19-20(13)11-4-2-1-3-5-11)15-16-14(17-18-15)10-6-7-22-9-10/h1-5,8,10,19H,6-7,9H2,(H,16,17,18)/t10-/m0/s1
InChIKeyFKYAVPATMYVHGB-JTQLQIEISA-N
XLogP1.45
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one with MolForge

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Related Compounds

6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione
CID 74249301
2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131124
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
CID 66022699
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
5-(oxan-4-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62906912
2-[1-[2,4-diethyl-5-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]benzoyl]piperidin-4-yl]benzonitrile
CID 175864422
5-(oxolan-3-yl)-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
CID 167934501
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
(3R)-3-phenyloxolane
CID 92859476
N-benzyl-5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
CID 71544095
2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
CID 112699838

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one (CID 98312732) is 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one is O=c1cc(-c2n[nH]c([C@H]3CCOC3)n2)[nH]n1-c1ccccc1.
What is the InChIKey of 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is FKYAVPATMYVHGB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N5O2/c21-13-8-12(19-20(13)11-4-2-1-3-5-11)15-16-14(17-18-15)10-6-7-22-9-10/h1-5,8,10,19H,6-7,9H2,(H,16,17,18)/t10-/m0/s1.
What are the key properties of 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one?
5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 297.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 98312732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).