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

C10H16BrClN4O — CID 44890743

IUPAC(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCCn1cc(Br)c(C(=O)N2CCNCC2)n1.Cl
InChIInChI=1S/C10H15BrN4O.ClH/c1-2-15-7-8(11)9(13-15)10(16)14-5-3-12-4-6-14;/h7,12H,2-6H2,1H3;1H
InChIKeyIHMQNYDJAUAQNZ-UHFFFAOYSA-N
MW323.62 g/mol
LogP1.13
Rot. Bonds2

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

(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 44890743) has the molecular formula C10H16BrClN4O and a molecular weight of 323.62 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID44890743
Molecular FormulaC10H16BrClN4O
Molecular Weight323.62 g/mol
Exact Mass322.02
IUPAC Name(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCCn1cc(Br)c(C(=O)N2CCNCC2)n1.Cl
InChIInChI=1S/C10H15BrN4O.ClH/c1-2-15-7-8(11)9(13-15)10(16)14-5-3-12-4-6-14;/h7,12H,2-6H2,1H3;1H
InChIKeyIHMQNYDJAUAQNZ-UHFFFAOYSA-N
XLogP1.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 51.13
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;hydrochloride?
The IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride (CID 44890743) is (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride is CCn1cc(Br)c(C(=O)N2CCNCC2)n1.Cl.
What is the InChIKey of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is IHMQNYDJAUAQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O.ClH/c1-2-15-7-8(11)9(13-15)10(16)14-5-3-12-4-6-14;/h7,12H,2-6H2,1H3;1H.
What are the key properties of (4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride?
(4-bromo-1-ethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 1.13, 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;hydrochloride is sourced from PubChem (CID 44890743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).