(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone

C11H16BrN3O2 — CID 47374278

IUPAC(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2n[nH]c(C)c2Br)CCO1
InChIInChI=1S/C11H16BrN3O2/c1-3-8-6-15(4-5-17-8)11(16)10-9(12)7(2)13-14-10/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyZSAWOTWVHMKWJH-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.73
Rot. Bonds2

About (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone

(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 47374278) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID47374278
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2n[nH]c(C)c2Br)CCO1
InChIInChI=1S/C11H16BrN3O2/c1-3-8-6-15(4-5-17-8)11(16)10-9(12)7(2)13-14-10/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyZSAWOTWVHMKWJH-UHFFFAOYSA-N
XLogP1.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone (CID 47374278) is (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2n[nH]c(C)c2Br)CCO1.
What is the InChIKey of (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is ZSAWOTWVHMKWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-8-6-15(4-5-17-8)11(16)10-9(12)7(2)13-14-10/h8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone?
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 302.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47374278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).