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

C13H15N3 — CID 23733697

IUPAC6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole
SMILESCc1cccc(N2CCc3cn[nH]c32)c1C
InChIInChI=1S/C13H15N3/c1-9-4-3-5-12(10(9)2)16-7-6-11-8-14-15-13(11)16/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyQYYWEMPAYVLZDL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.72
Rot. Bonds1

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

6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole (PubChem CID 23733697) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole
PubChem CID23733697
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole
SMILESCc1cccc(N2CCc3cn[nH]c32)c1C
InChIInChI=1S/C13H15N3/c1-9-4-3-5-12(10(9)2)16-7-6-11-8-14-15-13(11)16/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyQYYWEMPAYVLZDL-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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Related Compounds

1-(2,3-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64958545
1-(2,3-dimethylphenyl)-4-(1H-imidazol-5-yl)piperazine-2,3-dione
CID 54112153
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
1-(2,3-dimethylphenyl)-4-(1H-imidazol-5-yl)piperazine-2,3-dione;hydrochloride
CID 70202819
4-(2,3-dimethylphenyl)-1,4-diazocan-5-one
CID 117015352
7-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b]pyridine;molecular hydrogen
CID 143873221
5-(2,3-dihydroindol-1-yl)-N-(2,3-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112962568
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970373
3-(2,3-dihydroindol-1-yl)-1-(2,3-dimethylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573827
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776984

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole (CID 23733697) is 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole is Cc1cccc(N2CCc3cn[nH]c32)c1C.
What is the InChIKey of 6-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
The InChIKey is QYYWEMPAYVLZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-4-3-5-12(10(9)2)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-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole?
6-(2,3-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-(2,3-dimethylphenyl)-4,5-dihydro-1H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 23733697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).