1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C19H19N3 — CID 5244134

IUPAC1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1cccc(-n2nc(-c3ccccc3)c3c2NCC3)c1C
InChIInChI=1S/C19H19N3/c1-13-7-6-10-17(14(13)2)22-19-16(11-12-20-19)18(21-22)15-8-4-3-5-9-15/h3-10,20H,11-12H2,1-2H3
InChIKeyVHWRWKTXBVHEMG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.12
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 5244134) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID5244134
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1cccc(-n2nc(-c3ccccc3)c3c2NCC3)c1C
InChIInChI=1S/C19H19N3/c1-13-7-6-10-17(14(13)2)22-19-16(11-12-20-19)18(21-22)15-8-4-3-5-9-15/h3-10,20H,11-12H2,1-2H3
InChIKeyVHWRWKTXBVHEMG-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 5244134) is 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1cccc(-n2nc(-c3ccccc3)c3c2NCC3)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is VHWRWKTXBVHEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-13-7-6-10-17(14(13)2)22-19-16(11-12-20-19)18(21-22)15-8-4-3-5-9-15/h3-10,20H,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 289.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 5244134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).