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

C13H15N3 — CID 685673

IUPAC6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole
SMILESCc1cccc(C)c1N1CCc2cn[nH]c21
InChIInChI=1S/C13H15N3/c1-9-4-3-5-10(2)12(9)16-7-6-11-8-14-15-13(11)16/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyBVAWPUMRTMTGLV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.72
Rot. Bonds1

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

6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole (PubChem CID 685673) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole
PubChem CID685673
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole
SMILESCc1cccc(C)c1N1CCc2cn[nH]c21
InChIInChI=1S/C13H15N3/c1-9-4-3-5-10(2)12(9)16-7-6-11-8-14-15-13(11)16/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyBVAWPUMRTMTGLV-UHFFFAOYSA-N
XLogP2.72
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole (CID 685673) is 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole is Cc1cccc(C)c1N1CCc2cn[nH]c21.
What is the InChIKey of 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
The InChIKey is BVAWPUMRTMTGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-4-3-5-10(2)12(9)16-7-6-11-8-14-15-13(11)16/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole has a molecular weight of 213.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 685673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).