(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]

C12H19N3 — CID 125449191

IUPAC(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]
SMILESCCn1ncc2c1[C@@]1(CCCNC1)CC2
InChIInChI=1S/C12H19N3/c1-2-15-11-10(8-14-15)4-6-12(11)5-3-7-13-9-12/h8,13H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyBAXPYQDJHUKVAK-LBPRGKRZSA-N
MW205.30 g/mol
LogP1.47
Rot. Bonds1

About (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]

(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine] (PubChem CID 125449191) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine].

Molecular Properties

Compound Name(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]
PubChem CID125449191
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]
SMILESCCn1ncc2c1[C@@]1(CCCNC1)CC2
InChIInChI=1S/C12H19N3/c1-2-15-11-10(8-14-15)4-6-12(11)5-3-7-13-9-12/h8,13H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyBAXPYQDJHUKVAK-LBPRGKRZSA-N
XLogP1.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine] with MolForge

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Related Compounds

1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
CID 96617702
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
(5R)-2-ethyl-2,9-diazaspiro[4.5]decan-1-one
CID 92775014
2-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylazepane
CID 114657333
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187
3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385628
[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66060230
1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
CID 176811769
3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182

Frequently Asked Questions

What is the IUPAC name of (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]?
The IUPAC name of (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine] (CID 125449191) is (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine].
What is the SMILES notation for (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]?
The canonical SMILES for (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine] is CCn1ncc2c1[C@@]1(CCCNC1)CC2.
What is the InChIKey of (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]?
The InChIKey is BAXPYQDJHUKVAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-11-10(8-14-15)4-6-12(11)5-3-7-13-9-12/h8,13H,2-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine]?
(6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-ethylspiro[4,5-dihydrocyclopenta[d]pyrazole-6,3'-piperidine] is sourced from PubChem (CID 125449191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).