[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone

C20H23N3O2 — CID 166368124

IUPAC[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESCc1c(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cnn1CCO
InChIInChI=1S/C20H23N3O2/c1-15-17(14-21-23(15)12-13-24)19(25)22-10-8-20(9-11-22)7-6-16-4-2-3-5-18(16)20/h2-7,14,24H,8-13H2,1H3
InChIKeyJJKMSSASXYJGRV-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.38
Rot. Bonds3

About [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone

[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 166368124) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
PubChem CID166368124
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESCc1c(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cnn1CCO
InChIInChI=1S/C20H23N3O2/c1-15-17(14-21-23(15)12-13-24)19(25)22-10-8-20(9-11-22)7-6-16-4-2-3-5-18(16)20/h2-7,14,24H,8-13H2,1H3
InChIKeyJJKMSSASXYJGRV-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
(2,3-dichlorophenyl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024516
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
(5-chloro-1H-indazol-7-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 25024712
7-(4-fluoro-2-methylanilino)-6-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540926
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 151278351
(1-ethyl-5-methylpyrazol-4-yl)-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97199126
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 65283209
(3R,4S)-4-benzyl-1-(1-ethyl-5-methylpyrazole-4-carbonyl)-3-hydroxypiperidine-4-carboxylic acid
CID 135088187
2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611595

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone (CID 166368124) is [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone is Cc1c(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cnn1CCO.
What is the InChIKey of [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is JJKMSSASXYJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-17(14-21-23(15)12-13-24)19(25)22-10-8-20(9-11-22)7-6-16-4-2-3-5-18(16)20/h2-7,14,24H,8-13H2,1H3.
What are the key properties of [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 166368124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).