[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone

C10H11BrF3N3O2 — CID 4767766

IUPAC[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c(Br)c1C(F)(F)F
InChIInChI=1S/C10H11BrF3N3O2/c1-16-8(10(12,13)14)6(11)7(15-16)9(18)17-2-4-19-5-3-17/h2-5H2,1H3
InChIKeyLIXCOMVQEOETIS-UHFFFAOYSA-N
MW342.12 g/mol
LogP1.67
Rot. Bonds1

About [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone

[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 4767766) has the molecular formula C10H11BrF3N3O2 and a molecular weight of 342.12 g/mol. Its IUPAC name is [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID4767766
Molecular FormulaC10H11BrF3N3O2
Molecular Weight342.12 g/mol
Exact Mass341.00
IUPAC Name[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c(Br)c1C(F)(F)F
InChIInChI=1S/C10H11BrF3N3O2/c1-16-8(10(12,13)14)6(11)7(15-16)9(18)17-2-4-19-5-3-17/h2-5H2,1H3
InChIKeyLIXCOMVQEOETIS-UHFFFAOYSA-N
XLogP1.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
4-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-2-(trifluoromethyl)morpholine
CID 56876643
4-bromo-1,5-dimethyl-N-[(3R)-oxan-3-yl]pyrazole-3-carboxamide
CID 136589319
[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl](morpholin-4-yl)methanone
CID 4767754
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](4-methylpiperazino)methanone
CID 4767862
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768998
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](2,6-dimethylpiperidino)methanone
CID 19575580
4-Bromo-2-(2,2-difluoroethyl)-5-methylpyrazole-3-carboxamide
CID 89816407
4-Bromo-1,5-dimethylpyrazol-3-yl morpholin-4-yl ketone
CID 19579891

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 4767766) is [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c(Br)c1C(F)(F)F.
What is the InChIKey of [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LIXCOMVQEOETIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O2/c1-16-8(10(12,13)14)6(11)7(15-16)9(18)17-2-4-19-5-3-17/h2-5H2,1H3.
What are the key properties of [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 342.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4767766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).