(4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone

C9H13BrN4O — CID 46901601

IUPAC(4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCn1cc(Br)c(C(=O)N2CCNCC2)n1
InChIInChI=1S/C9H13BrN4O/c1-13-6-7(10)8(12-13)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3
InChIKeyWQEIPPIZMGZVGP-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.23
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone

(4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 46901601) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID46901601
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCn1cc(Br)c(C(=O)N2CCNCC2)n1
InChIInChI=1S/C9H13BrN4O/c1-13-6-7(10)8(12-13)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3
InChIKeyWQEIPPIZMGZVGP-UHFFFAOYSA-N
XLogP0.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone (CID 46901601) is (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone is Cn1cc(Br)c(C(=O)N2CCNCC2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is WQEIPPIZMGZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-13-6-7(10)8(12-13)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone?
(4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 273.13 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 46901601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).