[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C21H20FN3OS — CID 30906678

IUPAC[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C21H20FN3OS/c22-14-8-10-15(11-9-14)25-17-5-1-4-16(17)20(23-25)21(26)24-12-2-6-18(24)19-7-3-13-27-19/h3,7-11,13,18H,1-2,4-6,12H2/t18-/m1/s1
InChIKeyQKJANQXMXKRFFM-GOSISDBHSA-N
MW381.48 g/mol
LogP4.54
Rot. Bonds3

About [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 30906678) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID30906678
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C21H20FN3OS/c22-14-8-10-15(11-9-14)25-17-5-1-4-16(17)20(23-25)21(26)24-12-2-6-18(24)19-7-3-13-27-19/h3,7-11,13,18H,1-2,4-6,12H2/t18-/m1/s1
InChIKeyQKJANQXMXKRFFM-GOSISDBHSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 30906678) is [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is QKJANQXMXKRFFM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20FN3OS/c22-14-8-10-15(11-9-14)25-17-5-1-4-16(17)20(23-25)21(26)24-12-2-6-18(24)19-7-3-13-27-19/h3,7-11,13,18H,1-2,4-6,12H2/t18-/m1/s1.
What are the key properties of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 30906678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).