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

C8H9N3O — CID 126655656

IUPAC4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one
SMILESCC1=C(c2ccn[nH]2)CNC1=O
InChIInChI=1S/C8H9N3O/c1-5-6(4-9-8(5)12)7-2-3-10-11-7/h2-3H,4H2,1H3,(H,9,12)(H,10,11)
InChIKeyIZPFWFNUIWCBEF-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.31
Rot. Bonds1

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

4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one (PubChem CID 126655656) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one
PubChem CID126655656
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one
SMILESCC1=C(c2ccn[nH]2)CNC1=O
InChIInChI=1S/C8H9N3O/c1-5-6(4-9-8(5)12)7-2-3-10-11-7/h2-3H,4H2,1H3,(H,9,12)(H,10,11)
InChIKeyIZPFWFNUIWCBEF-UHFFFAOYSA-N
XLogP0.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one (CID 126655656) is 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one is CC1=C(c2ccn[nH]2)CNC1=O.
What is the InChIKey of 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is IZPFWFNUIWCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-6(4-9-8(5)12)7-2-3-10-11-7/h2-3H,4H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one?
4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 163.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1H-pyrazol-5-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 126655656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).