9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H27ClN4O2 — CID 70737134

IUPAC9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(CCn1cc(Cl)cn1)CC2
InChIInChI=1S/C17H27ClN4O2/c1-24-11-10-21-14-17(3-2-16(21)23)4-6-20(7-5-17)8-9-22-13-15(18)12-19-22/h12-13H,2-11,14H2,1H3
InChIKeyVFZWJKVABXWAET-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.89
Rot. Bonds6

About 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70737134) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70737134
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(CCn1cc(Cl)cn1)CC2
InChIInChI=1S/C17H27ClN4O2/c1-24-11-10-21-14-17(3-2-16(21)23)4-6-20(7-5-17)8-9-22-13-15(18)12-19-22/h12-13H,2-11,14H2,1H3
InChIKeyVFZWJKVABXWAET-UHFFFAOYSA-N
XLogP1.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70740860
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70786934
2-(3-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72921836
2-(2-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72936390
8-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124075213
2-(2-methoxyethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
9-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932265
(6R)-2-(2-methoxyethyl)-8-(3-pyrazol-1-ylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96376679
(6R)-8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404314
(6S)-4-[2-(4-chloropyrazol-1-yl)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97148945
4-(3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}propanoyl)morpholine
CID 45194322
2-(2-methoxyethyl)-9-[3-(1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72880195

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70737134) is 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(CCn1cc(Cl)cn1)CC2.
What is the InChIKey of 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VFZWJKVABXWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-24-11-10-21-14-17(3-2-16(21)23)4-6-20(7-5-17)8-9-22-13-15(18)12-19-22/h12-13H,2-11,14H2,1H3.
What are the key properties of 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.88 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70737134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).