5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one

C8H11N3O2 — CID 112513806

IUPAC5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCCC1
InChIInChI=1S/C8H11N3O2/c12-7-5-6(9-10-7)8(13)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12)
InChIKeyJVLNZWWGYXDMKZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.06
Rot. Bonds1

About 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 112513806) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID112513806
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCCC1
InChIInChI=1S/C8H11N3O2/c12-7-5-6(9-10-7)8(13)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12)
InChIKeyJVLNZWWGYXDMKZ-UHFFFAOYSA-N
XLogP-0.06
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 112513806) is 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one is O=C(c1cc(=O)[nH][nH]1)N1CCCC1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is JVLNZWWGYXDMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-5-6(9-10-7)8(13)11-3-1-2-4-11/h5H,1-4H2,(H2,9,10,12).
What are the key properties of 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 181.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 112513806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).