(4-bromophenyl)-pyrazolidin-1-ylmethanone

C10H11BrN2O — CID 11492588

IUPAC(4-bromophenyl)-pyrazolidin-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1)N1CCCN1
InChIInChI=1S/C10H11BrN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h2-5,12H,1,6-7H2
InChIKeyWWUKQPTVUMVGDN-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.80
Rot. Bonds1

About (4-bromophenyl)-pyrazolidin-1-ylmethanone

(4-bromophenyl)-pyrazolidin-1-ylmethanone (PubChem CID 11492588) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (4-bromophenyl)-pyrazolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-pyrazolidin-1-ylmethanone
PubChem CID11492588
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(4-bromophenyl)-pyrazolidin-1-ylmethanone
SMILESO=C(c1ccc(Br)cc1)N1CCCN1
InChIInChI=1S/C10H11BrN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h2-5,12H,1,6-7H2
InChIKeyWWUKQPTVUMVGDN-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-pyrazolidin-1-ylmethanone?
The IUPAC name of (4-bromophenyl)-pyrazolidin-1-ylmethanone (CID 11492588) is (4-bromophenyl)-pyrazolidin-1-ylmethanone.
What is the SMILES notation for (4-bromophenyl)-pyrazolidin-1-ylmethanone?
The canonical SMILES for (4-bromophenyl)-pyrazolidin-1-ylmethanone is O=C(c1ccc(Br)cc1)N1CCCN1.
What is the InChIKey of (4-bromophenyl)-pyrazolidin-1-ylmethanone?
The InChIKey is WWUKQPTVUMVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h2-5,12H,1,6-7H2.
What are the key properties of (4-bromophenyl)-pyrazolidin-1-ylmethanone?
(4-bromophenyl)-pyrazolidin-1-ylmethanone has a molecular weight of 255.11 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-pyrazolidin-1-ylmethanone is sourced from PubChem (CID 11492588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).