(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone

C11H16BrN3O2 — CID 114669501

IUPAC(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone
SMILESCCCn1ncc(Br)c1C(=O)C1COCCN1
InChIInChI=1S/C11H16BrN3O2/c1-2-4-15-10(8(12)6-14-15)11(16)9-7-17-5-3-13-9/h6,9,13H,2-5,7H2,1H3
InChIKeyMDXDRWCBCTXOBD-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.23
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone

(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone (PubChem CID 114669501) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone
PubChem CID114669501
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone
SMILESCCCn1ncc(Br)c1C(=O)C1COCCN1
InChIInChI=1S/C11H16BrN3O2/c1-2-4-15-10(8(12)6-14-15)11(16)9-7-17-5-3-13-9/h6,9,13H,2-5,7H2,1H3
InChIKeyMDXDRWCBCTXOBD-UHFFFAOYSA-N
XLogP1.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methanone
CID 115804474
(4-bromo-1-propylpyrazol-5-yl)-(oxan-2-yl)methanone
CID 115804718
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114668135
(2-ethylpyrazol-3-yl)-morpholin-3-ylmethanone
CID 116576217
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641102
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(oxolan-3-yl)methanone
CID 114640598
(4-bromo-1-ethylpyrazol-5-yl)-(oxan-4-yl)methanone
CID 114640603
(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669204
(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
CID 114669166
1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanone
CID 114642345
4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one
CID 103549434

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone (CID 114669501) is (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone is CCCn1ncc(Br)c1C(=O)C1COCCN1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone?
The InChIKey is MDXDRWCBCTXOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-2-4-15-10(8(12)6-14-15)11(16)9-7-17-5-3-13-9/h6,9,13H,2-5,7H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone?
(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone has a molecular weight of 302.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 114669501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).