1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

C14H16N6 — CID 143047101

IUPAC1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESc1ccc(Cn2nc(C3N=NNN3)c3c2CCC3)cc1
InChIInChI=1S/C14H16N6/c1-2-5-10(6-3-1)9-20-12-8-4-7-11(12)13(17-20)14-15-18-19-16-14/h1-3,5-6,14H,4,7-9H2,(H,15,19)(H,16,18)
InChIKeyLLVGJGOOSXUOQV-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds3

About 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 143047101) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID143047101
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESc1ccc(Cn2nc(C3N=NNN3)c3c2CCC3)cc1
InChIInChI=1S/C14H16N6/c1-2-5-10(6-3-1)9-20-12-8-4-7-11(12)13(17-20)14-15-18-19-16-14/h1-3,5-6,14H,4,7-9H2,(H,15,19)(H,16,18)
InChIKeyLLVGJGOOSXUOQV-UHFFFAOYSA-N
XLogP1.89
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole with MolForge

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Related Compounds

1-benzyl-3-(bromomethyl)-4,5,6,7-tetrahydroindazole
CID 10614502
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 58713629
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
CID 143116710
1-benzyl-3-(dimethoxymethyl)-4,5,6,7-tetrahydroindazole;ethane
CID 143116778
1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 82590651
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561268
3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587563
3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3613335
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561357

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 143047101) is 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is c1ccc(Cn2nc(C3N=NNN3)c3c2CCC3)cc1.
What is the InChIKey of 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is LLVGJGOOSXUOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-5-10(6-3-1)9-20-12-8-4-7-11(12)13(17-20)14-15-18-19-16-14/h1-3,5-6,14H,4,7-9H2,(H,15,19)(H,16,18).
What are the key properties of 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 268.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 143047101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).