(4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C11H17BrN4O — CID 17020897

IUPAC(4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1cc(Br)c(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C11H17BrN4O/c1-3-16-8-9(12)10(13-16)11(17)15-6-4-14(2)5-7-15/h8H,3-7H2,1-2H3
InChIKeyGIBUCTXHBYKMRY-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.05
Rot. Bonds2

About (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 17020897) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID17020897
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name(4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1cc(Br)c(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C11H17BrN4O/c1-3-16-8-9(12)10(13-16)11(17)15-6-4-14(2)5-7-15/h8H,3-7H2,1-2H3
InChIKeyGIBUCTXHBYKMRY-UHFFFAOYSA-N
XLogP1.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 17020897) is (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone is CCn1cc(Br)c(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GIBUCTXHBYKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-3-16-8-9(12)10(13-16)11(17)15-6-4-14(2)5-7-15/h8H,3-7H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 301.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 17020897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).