(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone

C12H12BrN3O — CID 123818854

IUPAC(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(Br)c2ccccc12)N1CCCC1
InChIInChI=1S/C12H12BrN3O/c13-16-10-6-2-1-5-9(10)11(14-16)12(17)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2
InChIKeyNIMNWSZKPMERLT-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.43
Rot. Bonds1

About (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone

(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 123818854) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID123818854
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(Br)c2ccccc12)N1CCCC1
InChIInChI=1S/C12H12BrN3O/c13-16-10-6-2-1-5-9(10)11(14-16)12(17)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2
InChIKeyNIMNWSZKPMERLT-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone (CID 123818854) is (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone is O=C(c1nn(Br)c2ccccc12)N1CCCC1.
What is the InChIKey of (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NIMNWSZKPMERLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-16-10-6-2-1-5-9(10)11(14-16)12(17)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2.
What are the key properties of (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone?
(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 294.15 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 123818854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).