8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one

C13H19ClN4O — CID 91842379

IUPAC8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)N1
InChIInChI=1S/C13H19ClN4O/c14-11-9-15-18(10-11)8-7-17-5-3-13(4-6-17)2-1-12(19)16-13/h9-10H,1-8H2,(H,16,19)
InChIKeyAGNVOIXGIPGJFV-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.28
Rot. Bonds3

About 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one

8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 91842379) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID91842379
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)N1
InChIInChI=1S/C13H19ClN4O/c14-11-9-15-18(10-11)8-7-17-5-3-13(4-6-17)2-1-12(19)16-13/h9-10H,1-8H2,(H,16,19)
InChIKeyAGNVOIXGIPGJFV-UHFFFAOYSA-N
XLogP1.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
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
2-[(4-chloro-1H-pyrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 56746250
1-({1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70765822
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065
(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97148945
3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 164630659
3-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
CID 45222098

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one (CID 91842379) is 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)N1.
What is the InChIKey of 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AGNVOIXGIPGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-11-9-15-18(10-11)8-7-17-5-3-13(4-6-17)2-1-12(19)16-13/h9-10H,1-8H2,(H,16,19).
What are the key properties of 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 282.77 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chloropyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 91842379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).