(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone

C18H20FN3O2 — CID 138810477

IUPAC(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC3(CCc4cn[nH]c43)C2)ccc1F
InChIInChI=1S/C18H20FN3O2/c1-24-15-9-12(3-4-14(15)19)17(23)22-8-2-6-18(11-22)7-5-13-10-20-21-16(13)18/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,21)
InChIKeyWWUSQZUYKBXRSE-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.68
Rot. Bonds2

About (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone

(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone (PubChem CID 138810477) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
PubChem CID138810477
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC3(CCc4cn[nH]c43)C2)ccc1F
InChIInChI=1S/C18H20FN3O2/c1-24-15-9-12(3-4-14(15)19)17(23)22-8-2-6-18(11-22)7-5-13-10-20-21-16(13)18/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,21)
InChIKeyWWUSQZUYKBXRSE-UHFFFAOYSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044
(3-fluoro-2-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138809919
1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 138810024
(2-methyl-1,3-benzoxazol-6-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163313939
[3-(1H-pyrazol-4-yl)phenyl]-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163314428
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138808621
spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 163307990
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806087
3-phenoxy-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
CID 138807778
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 139599004
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
(2-methoxy-4-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163315799

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone (CID 138810477) is (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone is COc1cc(C(=O)N2CCCC3(CCc4cn[nH]c43)C2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
The InChIKey is WWUSQZUYKBXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-15-9-12(3-4-14(15)19)17(23)22-8-2-6-18(11-22)7-5-13-10-20-21-16(13)18/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,21).
What are the key properties of (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone?
(4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone has a molecular weight of 329.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 138810477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).