1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

C14H22BrN3O2 — CID 114641102

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCn1ncc(Br)c1C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H22BrN3O2/c1-4-5-18-12(11(15)10-16-18)13(19)14(2,3)17-6-8-20-9-7-17/h10H,4-9H2,1-3H3
InChIKeyGOSUBGIDXFCHSM-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 114641102) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID114641102
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCn1ncc(Br)c1C(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H22BrN3O2/c1-4-5-18-12(11(15)10-16-18)13(19)14(2,3)17-6-8-20-9-7-17/h10H,4-9H2,1-3H3
InChIKeyGOSUBGIDXFCHSM-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641103
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
CID 114642631
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-methylbutan-1-one
CID 114642645
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylpropan-1-one
CID 114639308
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503
(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methanone
CID 115804474
(4-bromo-1-propylpyrazol-5-yl)-morpholin-3-ylmethanone
CID 114669501
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694
1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045435

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 114641102) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is CCCn1ncc(Br)c1C(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is GOSUBGIDXFCHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-5-18-12(11(15)10-16-18)13(19)14(2,3)17-6-8-20-9-7-17/h10H,4-9H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 344.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114641102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).