N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide

C19H22N4O2 — CID 169419360

IUPACN-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESCC(=O)NC1CC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2
InChIInChI=1S/C19H22N4O2/c1-14(24)21-17-13-19(17)6-10-22(11-7-19)18(25)15-4-2-5-16(12-15)23-9-3-8-20-23/h2-5,8-9,12,17H,6-7,10-11,13H2,1H3,(H,21,24)
InChIKeyXGLMGIZHNBDMGS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.00
Rot. Bonds3

About N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide

N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide (PubChem CID 169419360) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
PubChem CID169419360
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESCC(=O)NC1CC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2
InChIInChI=1S/C19H22N4O2/c1-14(24)21-17-13-19(17)6-10-22(11-7-19)18(25)15-4-2-5-16(12-15)23-9-3-8-20-23/h2-5,8-9,12,17H,6-7,10-11,13H2,1H3,(H,21,24)
InChIKeyXGLMGIZHNBDMGS-UHFFFAOYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 97189447
(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 164689622
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
2-methyl-1'-(3-pyrazol-1-ylbenzoyl)spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165425555
(3-pyrazol-1-ylphenyl)-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126853262

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide?
The IUPAC name of N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide (CID 169419360) is N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide.
What is the SMILES notation for N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide?
The canonical SMILES for N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide is CC(=O)NC1CC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2.
What is the InChIKey of N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide?
The InChIKey is XGLMGIZHNBDMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)21-17-13-19(17)6-10-22(11-7-19)18(25)15-4-2-5-16(12-15)23-9-3-8-20-23/h2-5,8-9,12,17H,6-7,10-11,13H2,1H3,(H,21,24).
What are the key properties of N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide?
N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide is sourced from PubChem (CID 169419360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).