3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one

C7H7N3O — CID 135966133

IUPAC3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccc[nH]2)=NN1
InChIInChI=1S/C7H7N3O/c11-7-4-6(9-10-7)5-2-1-3-8-5/h1-3,8H,4H2,(H,10,11)
InChIKeyUUYYATWPJITSRC-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.24
Rot. Bonds1

About 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one

3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one (PubChem CID 135966133) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one
PubChem CID135966133
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccc[nH]2)=NN1
InChIInChI=1S/C7H7N3O/c11-7-4-6(9-10-7)5-2-1-3-8-5/h1-3,8H,4H2,(H,10,11)
InChIKeyUUYYATWPJITSRC-UHFFFAOYSA-N
XLogP0.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one (CID 135966133) is 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one is O=C1CC(c2ccc[nH]2)=NN1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one?
The InChIKey is UUYYATWPJITSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-4-6(9-10-7)5-2-1-3-8-5/h1-3,8H,4H2,(H,10,11).
What are the key properties of 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one?
3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one has a molecular weight of 149.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 135966133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).