1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C28H40N6 — CID 15770079

IUPAC1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCC(C)c1nn(C(n2nc(C(C)C)c3c2CCC3)n2nc(C(C)C)c3c2CCC3)c2c1CCC2
InChIInChI=1S/C28H40N6/c1-16(2)25-19-10-7-13-22(19)32(29-25)28(33-23-14-8-11-20(23)26(30-33)17(3)4)34-24-15-9-12-21(24)27(31-34)18(5)6/h16-18,28H,7-15H2,1-6H3
InChIKeyFLHVINDMJSSYEB-UHFFFAOYSA-N
MW460.67 g/mol
LogP5.67
Rot. Bonds6

About 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 15770079) has the molecular formula C28H40N6 and a molecular weight of 460.67 g/mol. Its IUPAC name is 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID15770079
Molecular FormulaC28H40N6
Molecular Weight460.67 g/mol
Exact Mass460.33
IUPAC Name1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCC(C)c1nn(C(n2nc(C(C)C)c3c2CCC3)n2nc(C(C)C)c3c2CCC3)c2c1CCC2
InChIInChI=1S/C28H40N6/c1-16(2)25-19-10-7-13-22(19)32(29-25)28(33-23-14-8-11-20(23)26(30-33)17(3)4)34-24-15-9-12-21(24)27(31-34)18(5)6/h16-18,28H,7-15H2,1-6H3
InChIKeyFLHVINDMJSSYEB-UHFFFAOYSA-N
XLogP5.67
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole with MolForge

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Related Compounds

1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 82590514
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 112711168
1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 137483098
1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 83862378
1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84665085
2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 170442026
4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 118338079
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 42573998
1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118489303
2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol
CID 84666344
1-(6-chloropyridazin-3-yl)-6-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 141028856
2-cyclopropyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 58720037

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 15770079) is 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is CC(C)c1nn(C(n2nc(C(C)C)c3c2CCC3)n2nc(C(C)C)c3c2CCC3)c2c1CCC2.
What is the InChIKey of 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is FLHVINDMJSSYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6/c1-16(2)25-19-10-7-13-22(19)32(29-25)28(33-23-14-8-11-20(23)26(30-33)17(3)4)34-24-15-9-12-21(24)27(31-34)18(5)6/h16-18,28H,7-15H2,1-6H3.
What are the key properties of 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 460.67 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 15770079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).