3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one

C15H24N4O — CID 118787599

IUPAC3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(CCn1cccn1)CC2
InChIInChI=1S/C15H24N4O/c20-14-2-3-15(4-8-16-14)5-10-18(11-6-15)12-13-19-9-1-7-17-19/h1,7,9H,2-6,8,10-13H2,(H,16,20)
InChIKeyOFGFLGAKJBHNLQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds3

About 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 118787599) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID118787599
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(CCn1cccn1)CC2
InChIInChI=1S/C15H24N4O/c20-14-2-3-15(4-8-16-14)5-10-18(11-6-15)12-13-19-9-1-7-17-19/h1,7,9H,2-6,8,10-13H2,(H,16,20)
InChIKeyOFGFLGAKJBHNLQ-UHFFFAOYSA-N
XLogP1.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64882771
3,9-diazaspiro[5.6]dodecan-10-one
CID 52644115
5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90508533
1-[2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,4-diazepan-5-one
CID 126900349
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56701527
1-(2-pyrazol-1-ylethyl)piperazin-2-one
CID 62310612
1-[2-(3-aminopyrazol-1-yl)ethyl]-1,4-diazepan-5-one
CID 63316447
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98896652
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094992
3,3-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64869288

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 118787599) is 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one is O=C1CCC2(CCN1)CCN(CCn1cccn1)CC2.
What is the InChIKey of 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is OFGFLGAKJBHNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-14-2-3-15(4-8-16-14)5-10-18(11-6-15)12-13-19-9-1-7-17-19/h1,7,9H,2-6,8,10-13H2,(H,16,20).
What are the key properties of 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 276.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 118787599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).