(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone

C11H16BrN3O2 — CID 114641459

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)c2c(Br)cnn2C)C1
InChIInChI=1S/C11H16BrN3O2/c1-3-15-4-5-17-9(7-15)11(16)10-8(12)6-13-14(10)2/h6,9H,3-5,7H2,1-2H3
InChIKeyKOHCKPLBMQLZLI-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.09
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone (PubChem CID 114641459) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
PubChem CID114641459
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
SMILESCCN1CCOC(C(=O)c2c(Br)cnn2C)C1
InChIInChI=1S/C11H16BrN3O2/c1-3-15-4-5-17-9(7-15)11(16)10-8(12)6-13-14(10)2/h6,9H,3-5,7H2,1-2H3
InChIKeyKOHCKPLBMQLZLI-UHFFFAOYSA-N
XLogP1.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone (CID 114641459) is (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone is CCN1CCOC(C(=O)c2c(Br)cnn2C)C1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
The InChIKey is KOHCKPLBMQLZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-15-4-5-17-9(7-15)11(16)10-8(12)6-13-14(10)2/h6,9H,3-5,7H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone has a molecular weight of 302.17 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone is sourced from PubChem (CID 114641459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).