2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone

C22H21N3O — CID 155952705

IUPAC2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2(CCC2)C1
InChIInChI=1S/C22H21N3O/c26-21(24-15-22(16-24)12-7-13-22)19-14-20(17-8-3-1-4-9-17)25(23-19)18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15-16H2
InChIKeyDYFVXDOUDSKAFR-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.17
Rot. Bonds3

About 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone

2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone (PubChem CID 155952705) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone
PubChem CID155952705
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2(CCC2)C1
InChIInChI=1S/C22H21N3O/c26-21(24-15-22(16-24)12-7-13-22)19-14-20(17-8-3-1-4-9-17)25(23-19)18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15-16H2
InChIKeyDYFVXDOUDSKAFR-UHFFFAOYSA-N
XLogP4.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
3-fluoro-1-(1-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)pyrrolidine-3-carbonitrile
CID 146076048
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid
CID 2771356
1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one
CID 118215149

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone?
The IUPAC name of 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone (CID 155952705) is 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone?
The canonical SMILES for 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2(CCC2)C1.
What is the InChIKey of 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone?
The InChIKey is DYFVXDOUDSKAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-21(24-15-22(16-24)12-7-13-22)19-14-20(17-8-3-1-4-9-17)25(23-19)18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15-16H2.
What are the key properties of 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone?
2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone is sourced from PubChem (CID 155952705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).