(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone

C8H10BrN3O2 — CID 35527352

IUPAC(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]ncc1Br)N1CCOCC1
InChIInChI=1S/C8H10BrN3O2/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyZCMCSNYLGIPYPO-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.64
Rot. Bonds1

About (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone

(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 35527352) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
PubChem CID35527352
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]ncc1Br)N1CCOCC1
InChIInChI=1S/C8H10BrN3O2/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyZCMCSNYLGIPYPO-UHFFFAOYSA-N
XLogP0.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
CID 51698964
[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 71866606
4-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
CID 72003788
4-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 72128476
(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 172653917
4-bromo-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 154748409
Morpholine, 4-(4-bromo-1-methylpyrazol-3-ylcarbonyl)-
CID 559877
4-bromo-1-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide
CID 4767850
4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 19476649
(4-Bromo-1-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 19576343

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone (CID 35527352) is (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone is O=C(c1[nH]ncc1Br)N1CCOCC1.
What is the InChIKey of (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is ZCMCSNYLGIPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11).
What are the key properties of (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 260.09 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 35527352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).