6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C16H26N2 — CID 129024480

IUPAC6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCCCCC1CCc2cnn(C3CCCCC3)c21
InChIInChI=1S/C16H26N2/c1-2-3-7-13-10-11-14-12-17-18(16(13)14)15-8-5-4-6-9-15/h12-13,15H,2-11H2,1H3
InChIKeyACIWRPNOZDDJEQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.61
Rot. Bonds4

About 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 129024480) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID129024480
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCCCCC1CCc2cnn(C3CCCCC3)c21
InChIInChI=1S/C16H26N2/c1-2-3-7-13-10-11-14-12-17-18(16(13)14)15-8-5-4-6-9-15/h12-13,15H,2-11H2,1H3
InChIKeyACIWRPNOZDDJEQ-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 129024480) is 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is CCCCC1CCc2cnn(C3CCCCC3)c21.
What is the InChIKey of 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is ACIWRPNOZDDJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-7-13-10-11-14-12-17-18(16(13)14)15-8-5-4-6-9-15/h12-13,15H,2-11H2,1H3.
What are the key properties of 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 246.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 129024480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).