1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]

C12H19N3 — CID 23549004

IUPAC1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]
SMILESCc1nn(C)c2c1C1(CCNCC1)CC2
InChIInChI=1S/C12H19N3/c1-9-11-10(15(2)14-9)3-4-12(11)5-7-13-8-6-12/h13H,3-8H2,1-2H3
InChIKeyZUEUVHKXCYVPGV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.30
Rot. Bonds

About 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]

1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine] (PubChem CID 23549004) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]
PubChem CID23549004
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]
SMILESCc1nn(C)c2c1C1(CCNCC1)CC2
InChIInChI=1S/C12H19N3/c1-9-11-10(15(2)14-9)3-4-12(11)5-7-13-8-6-12/h13H,3-8H2,1-2H3
InChIKeyZUEUVHKXCYVPGV-UHFFFAOYSA-N
XLogP1.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine] (CID 23549004) is 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine] is Cc1nn(C)c2c1C1(CCNCC1)CC2.
What is the InChIKey of 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]?
The InChIKey is ZUEUVHKXCYVPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-11-10(15(2)14-9)3-4-12(11)5-7-13-8-6-12/h13H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine]?
1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylspiro[5,6-dihydrocyclopenta[d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 23549004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).