2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone

C13H19ClN4O — CID 56746250

IUPAC2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C13H19ClN4O/c14-11-6-16-18(7-11)8-12(19)17-5-3-13(10-17)2-1-4-15-9-13/h6-7,15H,1-5,8-10H2
InChIKeyNCUSLLUQMOPUQK-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone

2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone (PubChem CID 56746250) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone
PubChem CID56746250
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C13H19ClN4O/c14-11-6-16-18(7-11)8-12(19)17-5-3-13(10-17)2-1-4-15-9-13/h6-7,15H,1-5,8-10H2
InChIKeyNCUSLLUQMOPUQK-UHFFFAOYSA-N
XLogP1.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide
CID 72899748
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
(3R*,4S*)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-4-cyclopropyl-3-pyrrolidinamine
CID 72878214
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
CID 91842379
2-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane
CID 91843311
3-(4-chloropyrazol-1-yl)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 128464964
3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 164630659
2-(4-chloro-1H-pyrazol-1-yl)-1-(3-(fluoromethyl)piperidin-1-yl)ethan-1-one
CID 178371719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone (CID 56746250) is 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone is O=C(Cn1cc(Cl)cn1)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is NCUSLLUQMOPUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-11-6-16-18(7-11)8-12(19)17-5-3-13(10-17)2-1-4-15-9-13/h6-7,15H,1-5,8-10H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone?
2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 56746250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).