1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

C12H13N3O — CID 83886668

IUPAC1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCOc1ccc(-n2ncc3c2CNC3)cc1
InChIInChI=1S/C12H13N3O/c1-16-11-4-2-10(3-5-11)15-12-8-13-6-9(12)7-14-15/h2-5,7,13H,6,8H2,1H3
InChIKeyLBLPVHTWQJSDRZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.48
Rot. Bonds2

About 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 83886668) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID83886668
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCOc1ccc(-n2ncc3c2CNC3)cc1
InChIInChI=1S/C12H13N3O/c1-16-11-4-2-10(3-5-11)15-12-8-13-6-9(12)7-14-15/h2-5,7,13H,6,8H2,1H3
InChIKeyLBLPVHTWQJSDRZ-UHFFFAOYSA-N
XLogP1.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8,9-difluoro-3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine
CID 59613608
1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904563
1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone
CID 95857400
3-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzoic acid
CID 105486390
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105452879
6-amino-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 141413691
[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium
CID 7200946
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
1-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]piperazine
CID 117210570
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 83886668) is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is COc1ccc(-n2ncc3c2CNC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is LBLPVHTWQJSDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-11-4-2-10(3-5-11)15-12-8-13-6-9(12)7-14-15/h2-5,7,13H,6,8H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 215.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83886668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).