(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone

C20H19N3O2 — CID 154842100

IUPAC(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC(O)C2(CC2)C1
InChIInChI=1S/C20H19N3O2/c24-18-11-23(12-20(18)7-8-20)19(25)17-10-16(21-22-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-10,18,24H,7-8,11-12H2,(H,21,22)
InChIKeyCEWRSHWIWUTUSC-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.83
Rot. Bonds2

About (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone

(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone (PubChem CID 154842100) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
PubChem CID154842100
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC(O)C2(CC2)C1
InChIInChI=1S/C20H19N3O2/c24-18-11-23(12-20(18)7-8-20)19(25)17-10-16(21-22-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-10,18,24H,7-8,11-12H2,(H,21,22)
InChIKeyCEWRSHWIWUTUSC-UHFFFAOYSA-N
XLogP2.83
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
CID 154847712
3a,6a-dimethyl-5-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,6-dihydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166249068
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154850370
[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 155507067
(3-naphthalen-2-yl-1H-pyrazol-5-yl)-[4-(triazol-1-yl)azepan-1-yl]methanone
CID 166250141
(3aS,6aR)-2-(3-phenyl-1H-pyrazole-5-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682869
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
3-[6-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579688
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 74244859
6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881492

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone (CID 154842100) is (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC(O)C2(CC2)C1.
What is the InChIKey of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is CEWRSHWIWUTUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18-11-23(12-20(18)7-8-20)19(25)17-10-16(21-22-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-10,18,24H,7-8,11-12H2,(H,21,22).
What are the key properties of (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 154842100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).