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

C23H22FN3O — CID 55687559

IUPAC[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)c2ccccc21
InChIInChI=1S/C23H22FN3O/c1-15-13-14-26(19-10-4-2-7-16(15)19)23(28)22-17-8-6-12-20(17)27(25-22)21-11-5-3-9-18(21)24/h2-5,7,9-11,15H,6,8,12-14H2,1H3
InChIKeyKHBZMUJUVLHPJP-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.65
Rot. Bonds2

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

[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55687559) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55687559
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)c2ccccc21
InChIInChI=1S/C23H22FN3O/c1-15-13-14-26(19-10-4-2-7-16(15)19)23(28)22-17-8-6-12-20(17)27(25-22)21-11-5-3-9-18(21)24/h2-5,7,9-11,15H,6,8,12-14H2,1H3
InChIKeyKHBZMUJUVLHPJP-UHFFFAOYSA-N
XLogP4.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55687559) is [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)c2ccccc21.
What is the InChIKey of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KHBZMUJUVLHPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-15-13-14-26(19-10-4-2-7-16(15)19)23(28)22-17-8-6-12-20(17)27(25-22)21-11-5-3-9-18(21)24/h2-5,7,9-11,15H,6,8,12-14H2,1H3.
What are the key properties of [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 375.45 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55687559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).