1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C19H18BrN3O — CID 3896853

IUPAC1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCOc1cccc(Cc2nn(-c3cccc(Br)c3)c3c2CCN3)c1
InChIInChI=1S/C19H18BrN3O/c1-24-16-7-2-4-13(10-16)11-18-17-8-9-21-19(17)23(22-18)15-6-3-5-14(20)12-15/h2-7,10,12,21H,8-9,11H2,1H3
InChIKeyJFLLIESWZYWHAN-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.20
Rot. Bonds4

About 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3896853) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3896853
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCOc1cccc(Cc2nn(-c3cccc(Br)c3)c3c2CCN3)c1
InChIInChI=1S/C19H18BrN3O/c1-24-16-7-2-4-13(10-16)11-18-17-8-9-21-19(17)23(22-18)15-6-3-5-14(20)12-15/h2-7,10,12,21H,8-9,11H2,1H3
InChIKeyJFLLIESWZYWHAN-UHFFFAOYSA-N
XLogP4.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5145052
1-(3-bromophenyl)-3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4540798
1-(2-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4664770
1-(2-bromophenyl)-3-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4311604
1-(3-bromophenyl)-3-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3618853
3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4032058
1-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5112174
1-(3-bromophenyl)-3-butyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3894003
1-(2,3-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4007186
3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine-1-carbothioamide
CID 5137521
1-(4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3531028
1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4240137

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3896853) is 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is COc1cccc(Cc2nn(-c3cccc(Br)c3)c3c2CCN3)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is JFLLIESWZYWHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-24-16-7-2-4-13(10-16)11-18-17-8-9-21-19(17)23(22-18)15-6-3-5-14(20)12-15/h2-7,10,12,21H,8-9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 384.28 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3896853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).