5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C17H13BrN4O — CID 662242

IUPAC5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1cccnc1)N(c1ccc(Br)cc1)C2=O
InChIInChI=1S/C17H13BrN4O/c1-10-14-15(21-20-10)17(23)22(13-6-4-12(18)5-7-13)16(14)11-3-2-8-19-9-11/h2-9,16H,1H3,(H,20,21)
InChIKeyMOGWLTMWNQFJDI-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.63
Rot. Bonds2

About 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 662242) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID662242
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1cccnc1)N(c1ccc(Br)cc1)C2=O
InChIInChI=1S/C17H13BrN4O/c1-10-14-15(21-20-10)17(23)22(13-6-4-12(18)5-7-13)16(14)11-3-2-8-19-9-11/h2-9,16H,1H3,(H,20,21)
InChIKeyMOGWLTMWNQFJDI-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 662242) is 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1C(c1cccnc1)N(c1ccc(Br)cc1)C2=O.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MOGWLTMWNQFJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O/c1-10-14-15(21-20-10)17(23)22(13-6-4-12(18)5-7-13)16(14)11-3-2-8-19-9-11/h2-9,16H,1H3,(H,20,21).
What are the key properties of 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 369.22 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 662242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).