(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone

C15H22BrN3O2 — CID 114641249

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone
SMILESCCn1ncc(Br)c1C(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C15H22BrN3O2/c1-2-19-13(12(16)11-17-19)14(20)15(5-3-4-6-15)18-7-9-21-10-8-18/h11H,2-10H2,1H3
InChIKeyPMPRCNYUYDRMJG-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.49
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone (PubChem CID 114641249) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone
PubChem CID114641249
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone
SMILESCCn1ncc(Br)c1C(=O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C15H22BrN3O2/c1-2-19-13(12(16)11-17-19)14(20)15(5-3-4-6-15)18-7-9-21-10-8-18/h11H,2-10H2,1H3
InChIKeyPMPRCNYUYDRMJG-UHFFFAOYSA-N
XLogP2.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
(4-bromo-1-ethylpyrazol-5-yl)-(oxan-4-yl)methanone
CID 114640603
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79058765
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543833
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641102
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641152
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375
(2-methoxyphenyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059290
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone (CID 114641249) is (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone is CCn1ncc(Br)c1C(=O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone?
The InChIKey is PMPRCNYUYDRMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-2-19-13(12(16)11-17-19)14(20)15(5-3-4-6-15)18-7-9-21-10-8-18/h11H,2-10H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone has a molecular weight of 356.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone is sourced from PubChem (CID 114641249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).