4-pyrazolidin-1-ylbenzamide

C10H13N3O — CID 130822150

IUPAC4-pyrazolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCN2)cc1
InChIInChI=1S/C10H13N3O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h2-5,12H,1,6-7H2,(H2,11,14)
InChIKeyWSKUIBCWQOEKLC-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.50
Rot. Bonds2

About 4-pyrazolidin-1-ylbenzamide

4-pyrazolidin-1-ylbenzamide (PubChem CID 130822150) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-pyrazolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-pyrazolidin-1-ylbenzamide
PubChem CID130822150
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-pyrazolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCN2)cc1
InChIInChI=1S/C10H13N3O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h2-5,12H,1,6-7H2,(H2,11,14)
InChIKeyWSKUIBCWQOEKLC-UHFFFAOYSA-N
XLogP0.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolidin-1-ylbenzamide?
The IUPAC name of 4-pyrazolidin-1-ylbenzamide (CID 130822150) is 4-pyrazolidin-1-ylbenzamide.
What is the SMILES notation for 4-pyrazolidin-1-ylbenzamide?
The canonical SMILES for 4-pyrazolidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCN2)cc1.
What is the InChIKey of 4-pyrazolidin-1-ylbenzamide?
The InChIKey is WSKUIBCWQOEKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h2-5,12H,1,6-7H2,(H2,11,14).
What are the key properties of 4-pyrazolidin-1-ylbenzamide?
4-pyrazolidin-1-ylbenzamide has a molecular weight of 191.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolidin-1-ylbenzamide is sourced from PubChem (CID 130822150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).