2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one

C10H10BrN3O2 — CID 66022568

IUPAC2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C10H10BrN3O2/c1-16-6-8-4-10(15)14(13-8)9-3-2-7(11)5-12-9/h2-5,13H,6H2,1H3
InChIKeyGOQMQNMYTOPNGO-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.47
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one

2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one (PubChem CID 66022568) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
PubChem CID66022568
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C10H10BrN3O2/c1-16-6-8-4-10(15)14(13-8)9-3-2-7(11)5-12-9/h2-5,13H,6H2,1H3
InChIKeyGOQMQNMYTOPNGO-UHFFFAOYSA-N
XLogP1.47
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazole-3-thione
CID 65349520
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazol-3-one
CID 66022773
2-(5-bromo-2-pyridinyl)-5-(difluoromethyl)-1H-pyrazol-3-one
CID 66022981
5-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-3-thione
CID 62408882
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazole-3-thione
CID 65349474
1-(5-bromo-2-pyridinyl)-5-chloro-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 65347557
2-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66022551
(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 70050434
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
5-pentyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 18780322
2-(5-bromo-2-pyridinyl)-5-(4-fluoro-3-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 136642761
2-(3-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66023133

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one (CID 66022568) is 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one is COCc1cc(=O)n(-c2ccc(Br)cn2)[nH]1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The InChIKey is GOQMQNMYTOPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-16-6-8-4-10(15)14(13-8)9-3-2-7(11)5-12-9/h2-5,13H,6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one has a molecular weight of 284.11 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66022568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).