N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide

C21H28FN3O2 — CID 133266207

IUPACN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1)C1CC(c2ccccc2F)NN1
InChIInChI=1S/C21H28FN3O2/c22-15-8-4-3-7-13(15)16-11-17(25-24-16)21(26)23-19-14-9-10-27-20(14)18(19)12-5-1-2-6-12/h3-4,7-8,12,14,16-20,24-25H,1-2,5-6,9-11H2,(H,23,26)/t14-,16?,17?,18+,19+,20-/m1/s1
InChIKeyPPJXFCAXHZDEQC-GFJPIDLBSA-N
MW373.47 g/mol
LogP2.44
Rot. Bonds4

About N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide (PubChem CID 133266207) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
PubChem CID133266207
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1)C1CC(c2ccccc2F)NN1
InChIInChI=1S/C21H28FN3O2/c22-15-8-4-3-7-13(15)16-11-17(25-24-16)21(26)23-19-14-9-10-27-20(14)18(19)12-5-1-2-6-12/h3-4,7-8,12,14,16-20,24-25H,1-2,5-6,9-11H2,(H,23,26)/t14-,16?,17?,18+,19+,20-/m1/s1
InChIKeyPPJXFCAXHZDEQC-GFJPIDLBSA-N
XLogP2.44
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide with MolForge

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Related Compounds

N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
CID 91776792
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
CID 133264832
4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
CID 156609395
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
CID 133267093
2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide
CID 156609525
5-(4-chlorophenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolidine-3-carboxamide
CID 133266296
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
CID 91770801
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-ethoxyethoxy)benzamide
CID 91769104
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91773236

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide (CID 133266207) is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide is O=C(N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1)C1CC(c2ccccc2F)NN1.
What is the InChIKey of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is PPJXFCAXHZDEQC-GFJPIDLBSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-15-8-4-3-7-13(15)16-11-17(25-24-16)21(26)23-19-14-9-10-27-20(14)18(19)12-5-1-2-6-12/h3-4,7-8,12,14,16-20,24-25H,1-2,5-6,9-11H2,(H,23,26)/t14-,16?,17?,18+,19+,20-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 133266207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).