(4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone

C10H14BrN3O2 — CID 19579891

IUPAC(4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1c(Br)c(C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C10H14BrN3O2/c1-7-8(11)9(12-13(7)2)10(15)14-3-5-16-6-4-14/h3-6H2,1-2H3
InChIKeyMHLBCEKWGIDQSA-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.96
Rot. Bonds1

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

(4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 19579891) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID19579891
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name(4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1c(Br)c(C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C10H14BrN3O2/c1-7-8(11)9(12-13(7)2)10(15)14-3-5-16-6-4-14/h3-6H2,1-2H3
InChIKeyMHLBCEKWGIDQSA-UHFFFAOYSA-N
XLogP0.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 47374278
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403669
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 47453390
[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl](morpholin-4-yl)methanone
CID 4767766
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
(1-Ethyl-3-methyl-5-pyrazolyl)morpholinomethanone
CID 25854648
(1,3-Dimethyl-1H-pyrazol-5-yl)(morpholin-4-yl)methanone
CID 19575160
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone (CID 19579891) is (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone is Cc1c(Br)c(C(=O)N2CCOCC2)nn1C.
What is the InChIKey of (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is MHLBCEKWGIDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7-8(11)9(12-13(7)2)10(15)14-3-5-16-6-4-14/h3-6H2,1-2H3.
What are the key properties of (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone?
(4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 288.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 19579891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).