3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole

C15H20N2 — CID 155535678

IUPAC3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
SMILESCC(C)c1ccc(C2NN=C3CCCC32)cc1
InChIInChI=1S/C15H20N2/c1-10(2)11-6-8-12(9-7-11)15-13-4-3-5-14(13)16-17-15/h6-10,13,15,17H,3-5H2,1-2H3
InChIKeyYJVCDFQEAWAOCJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.61
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole

3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole (PubChem CID 155535678) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
PubChem CID155535678
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
SMILESCC(C)c1ccc(C2NN=C3CCCC32)cc1
InChIInChI=1S/C15H20N2/c1-10(2)11-6-8-12(9-7-11)15-13-4-3-5-14(13)16-17-15/h6-10,13,15,17H,3-5H2,1-2H3
InChIKeyYJVCDFQEAWAOCJ-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
The IUPAC name of 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole (CID 155535678) is 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole is CC(C)c1ccc(C2NN=C3CCCC32)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
The InChIKey is YJVCDFQEAWAOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)11-6-8-12(9-7-11)15-13-4-3-5-14(13)16-17-15/h6-10,13,15,17H,3-5H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole?
3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 155535678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).