5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one

C15H19N3O2 — CID 82833702

IUPAC5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
SMILESCC1CCC(CNc2ccc(-c3cc(=O)[nH][nH]3)cc2)O1
InChIInChI=1S/C15H19N3O2/c1-10-2-7-13(20-10)9-16-12-5-3-11(4-6-12)14-8-15(19)18-17-14/h3-6,8,10,13,16H,2,7,9H2,1H3,(H2,17,18,19)
InChIKeyTZTIUGFZLFJDMG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.35
Rot. Bonds4

About 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one

5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one (PubChem CID 82833702) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
PubChem CID82833702
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
SMILESCC1CCC(CNc2ccc(-c3cc(=O)[nH][nH]3)cc2)O1
InChIInChI=1S/C15H19N3O2/c1-10-2-7-13(20-10)9-16-12-5-3-11(4-6-12)14-8-15(19)18-17-14/h3-6,8,10,13,16H,2,7,9H2,1H3,(H2,17,18,19)
InChIKeyTZTIUGFZLFJDMG-UHFFFAOYSA-N
XLogP2.35
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one (CID 82833702) is 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one is CC1CCC(CNc2ccc(-c3cc(=O)[nH][nH]3)cc2)O1.
What is the InChIKey of 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is TZTIUGFZLFJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-2-7-13(20-10)9-16-12-5-3-11(4-6-12)14-8-15(19)18-17-14/h3-6,8,10,13,16H,2,7,9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one?
5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 273.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 82833702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).