1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]

C19H25N3O2 — CID 164694099

IUPAC1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
SMILESCOc1cccc(CN2CCCC3(CCc4cn[nH]c43)C2)c1OC
InChIInChI=1S/C19H25N3O2/c1-23-16-6-3-5-15(17(16)24-2)12-22-10-4-8-19(13-22)9-7-14-11-20-21-18(14)19/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,20,21)
InChIKeyYBJFANVPPSFYHB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.91
Rot. Bonds4

About 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]

1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] (PubChem CID 164694099) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine].

Molecular Properties

Compound Name1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
PubChem CID164694099
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
SMILESCOc1cccc(CN2CCCC3(CCc4cn[nH]c43)C2)c1OC
InChIInChI=1S/C19H25N3O2/c1-23-16-6-3-5-15(17(16)24-2)12-22-10-4-8-19(13-22)9-7-14-11-20-21-18(14)19/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,20,21)
InChIKeyYBJFANVPPSFYHB-UHFFFAOYSA-N
XLogP2.91
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] with MolForge

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Related Compounds

1'-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
CID 163316940
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
(3-fluoro-2-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138809919
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane
CID 45229161
(5S)-9-[(2,3-dimethoxyphenyl)methyl]-2-[(1-ethylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 42511244
7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 70769286
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95886398
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
1-[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]but-3-en-1-one
CID 45229052

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
The IUPAC name of 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] (CID 164694099) is 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine].
What is the SMILES notation for 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
The canonical SMILES for 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] is COc1cccc(CN2CCCC3(CCc4cn[nH]c43)C2)c1OC.
What is the InChIKey of 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
The InChIKey is YBJFANVPPSFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-16-6-3-5-15(17(16)24-2)12-22-10-4-8-19(13-22)9-7-14-11-20-21-18(14)19/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] has a molecular weight of 327.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,3-dimethoxyphenyl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] is sourced from PubChem (CID 164694099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).