4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]

C18H31N3 — CID 91535559

IUPAC4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]
SMILESCCc1c2c(nn1CC)C1(CCNCC1)CC2C(C)(C)C
InChIInChI=1S/C18H31N3/c1-6-14-15-13(17(3,4)5)12-18(8-10-19-11-9-18)16(15)20-21(14)7-2/h13,19H,6-12H2,1-5H3
InChIKeyGDDYESJWADLKKE-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.62
Rot. Bonds2

About 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]

4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine] (PubChem CID 91535559) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine].

Molecular Properties

Compound Name4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]
PubChem CID91535559
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]
SMILESCCc1c2c(nn1CC)C1(CCNCC1)CC2C(C)(C)C
InChIInChI=1S/C18H31N3/c1-6-14-15-13(17(3,4)5)12-18(8-10-19-11-9-18)16(15)20-21(14)7-2/h13,19H,6-12H2,1-5H3
InChIKeyGDDYESJWADLKKE-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]?
The IUPAC name of 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine] (CID 91535559) is 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine].
What is the SMILES notation for 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]?
The canonical SMILES for 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine] is CCc1c2c(nn1CC)C1(CCNCC1)CC2C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]?
The InChIKey is GDDYESJWADLKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-14-15-13(17(3,4)5)12-18(8-10-19-11-9-18)16(15)20-21(14)7-2/h13,19H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine]?
4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine] has a molecular weight of 289.47 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-diethylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,4'-piperidine] is sourced from PubChem (CID 91535559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).