3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane

C12H19N3 — CID 130575204

IUPAC3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
SMILESCCn1cc(C2NCC23CCCC3)cn1
InChIInChI=1S/C12H19N3/c1-2-15-8-10(7-14-15)11-12(9-13-11)5-3-4-6-12/h7-8,11,13H,2-6,9H2,1H3
InChIKeyIXRGZTBYBLQQCC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.11
Rot. Bonds2

About 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane

3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane (PubChem CID 130575204) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
PubChem CID130575204
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
SMILESCCn1cc(C2NCC23CCCC3)cn1
InChIInChI=1S/C12H19N3/c1-2-15-8-10(7-14-15)11-12(9-13-11)5-3-4-6-12/h7-8,11,13H,2-6,9H2,1H3
InChIKeyIXRGZTBYBLQQCC-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
CID 125458334
N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138033075
4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899675
8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64841020
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255
1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570829

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane (CID 130575204) is 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane is CCn1cc(C2NCC23CCCC3)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane?
The InChIKey is IXRGZTBYBLQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-8-10(7-14-15)11-12(9-13-11)5-3-4-6-12/h7-8,11,13H,2-6,9H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane?
3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane has a molecular weight of 205.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane is sourced from PubChem (CID 130575204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).