[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone

C14H22BrN3O3 — CID 114641476

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2c(Br)cnn2CCOC)C1
InChIInChI=1S/C14H22BrN3O3/c1-3-4-17-5-8-21-12(10-17)14(19)13-11(15)9-16-18(13)6-7-20-2/h9,12H,3-8,10H2,1-2H3
InChIKeyFBVUUEHWUZFIDV-UHFFFAOYSA-N
MW360.25 g/mol
LogP1.59
Rot. Bonds7

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone (PubChem CID 114641476) has the molecular formula C14H22BrN3O3 and a molecular weight of 360.25 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone
PubChem CID114641476
Molecular FormulaC14H22BrN3O3
Molecular Weight360.25 g/mol
Exact Mass359.08
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2c(Br)cnn2CCOC)C1
InChIInChI=1S/C14H22BrN3O3/c1-3-4-17-5-8-21-12(10-17)14(19)13-11(15)9-16-18(13)6-7-20-2/h9,12H,3-8,10H2,1-2H3
InChIKeyFBVUUEHWUZFIDV-UHFFFAOYSA-N
XLogP1.59
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641477
(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641459
(4-bromo-1-propylpyrazol-5-yl)-(oxan-2-yl)methanone
CID 115804718
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanone
CID 114641450
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640693
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114668433
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
CID 114686036
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylpropan-1-one
CID 114639308
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114640827
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 114640744
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone (CID 114641476) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2c(Br)cnn2CCOC)C1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone?
The InChIKey is FBVUUEHWUZFIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O3/c1-3-4-17-5-8-21-12(10-17)14(19)13-11(15)9-16-18(13)6-7-20-2/h9,12H,3-8,10H2,1-2H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone has a molecular weight of 360.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 114641476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).