5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]

C13H21N3 — CID 169145368

IUPAC5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]
SMILESCCN1Cc2ccnn2CC2(CCCC2)C1
InChIInChI=1S/C13H21N3/c1-2-15-9-12-5-8-14-16(12)11-13(10-15)6-3-4-7-13/h5,8H,2-4,6-7,9-11H2,1H3
InChIKeyHYKBSBJSAINSJI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.28
Rot. Bonds1

About 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]

5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane] (PubChem CID 169145368) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane].

Molecular Properties

Compound Name5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]
PubChem CID169145368
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]
SMILESCCN1Cc2ccnn2CC2(CCCC2)C1
InChIInChI=1S/C13H21N3/c1-2-15-9-12-5-8-14-16(12)11-13(10-15)6-3-4-7-13/h5,8H,2-4,6-7,9-11H2,1H3
InChIKeyHYKBSBJSAINSJI-UHFFFAOYSA-N
XLogP2.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane] with MolForge

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Related Compounds

5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-thietane]
CID 176704004
5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]
CID 176704306
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
ethane;5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-thietane]
CID 169145698
2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanamine
CID 121215304
8-(2-ethylpyrazol-3-yl)spiro[4.5]decan-8-ol
CID 114819639
7-ethylspiro[6,8-dihydroimidazo[1,2-a]pyrazine-5,1'-cyclohexane]
CID 164902362
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880
7-(ethoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647388
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643

Frequently Asked Questions

What is the IUPAC name of 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]?
The IUPAC name of 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane] (CID 169145368) is 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane].
What is the SMILES notation for 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]?
The canonical SMILES for 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane] is CCN1Cc2ccnn2CC2(CCCC2)C1.
What is the InChIKey of 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]?
The InChIKey is HYKBSBJSAINSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-15-9-12-5-8-14-16(12)11-13(10-15)6-3-4-7-13/h5,8H,2-4,6-7,9-11H2,1H3.
What are the key properties of 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]?
5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane] has a molecular weight of 219.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane] is sourced from PubChem (CID 169145368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).