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

C10H15BrN4O — CID 7022280

IUPAC(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCCn1cc(Br)c(C(=O)N2CCNCC2)n1
InChIInChI=1S/C10H15BrN4O/c1-2-15-7-8(11)9(13-15)10(16)14-5-3-12-4-6-14/h7,12H,2-6H2,1H3
InChIKeyGDIMSNRZHUDRQY-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.71
Rot. Bonds2

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

(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 7022280) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID7022280
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCCn1cc(Br)c(C(=O)N2CCNCC2)n1
InChIInChI=1S/C10H15BrN4O/c1-2-15-7-8(11)9(13-15)10(16)14-5-3-12-4-6-14/h7,12H,2-6H2,1H3
InChIKeyGDIMSNRZHUDRQY-UHFFFAOYSA-N
XLogP0.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone (CID 7022280) is (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone is CCn1cc(Br)c(C(=O)N2CCNCC2)n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is GDIMSNRZHUDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-2-15-7-8(11)9(13-15)10(16)14-5-3-12-4-6-14/h7,12H,2-6H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone?
(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 287.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 7022280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).