3-pyrrol-1-yl-1,4-dihydropyrazol-5-one

C7H7N3O — CID 45088238

IUPAC3-pyrrol-1-yl-1,4-dihydropyrazol-5-one
SMILESO=C1CC(n2cccc2)=NN1
InChIInChI=1S/C7H7N3O/c11-7-5-6(8-9-7)10-3-1-2-4-10/h1-4H,5H2,(H,9,11)
InChIKeyCELMZBXKFQQUKR-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.17
Rot. Bonds

About 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one

3-pyrrol-1-yl-1,4-dihydropyrazol-5-one (PubChem CID 45088238) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-pyrrol-1-yl-1,4-dihydropyrazol-5-one
PubChem CID45088238
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-pyrrol-1-yl-1,4-dihydropyrazol-5-one
SMILESO=C1CC(n2cccc2)=NN1
InChIInChI=1S/C7H7N3O/c11-7-5-6(8-9-7)10-3-1-2-4-10/h1-4H,5H2,(H,9,11)
InChIKeyCELMZBXKFQQUKR-UHFFFAOYSA-N
XLogP0.17
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one (CID 45088238) is 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one is O=C1CC(n2cccc2)=NN1.
What is the InChIKey of 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one?
The InChIKey is CELMZBXKFQQUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-5-6(8-9-7)10-3-1-2-4-10/h1-4H,5H2,(H,9,11).
What are the key properties of 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one?
3-pyrrol-1-yl-1,4-dihydropyrazol-5-one has a molecular weight of 149.15 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 45088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).