1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone

C20H16FN3O — CID 42962525

IUPAC1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc2ncccc2c1
InChIInChI=1S/C20H16FN3O/c1-13(25)24-20(12-19(23-24)14-4-7-17(21)8-5-14)16-6-9-18-15(11-16)3-2-10-22-18/h2-11,20H,12H2,1H3
InChIKeyGGLZOTIANWPJFD-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.07
Rot. Bonds2

About 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 42962525) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID42962525
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc2ncccc2c1
InChIInChI=1S/C20H16FN3O/c1-13(25)24-20(12-19(23-24)14-4-7-17(21)8-5-14)16-6-9-18-15(11-16)3-2-10-22-18/h2-11,20H,12H2,1H3
InChIKeyGGLZOTIANWPJFD-UHFFFAOYSA-N
XLogP4.07
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 25337269
1-[5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 42650673
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 42108901
1-[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 42108887
1-[(3S)-3,5-bis(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97310245
1-[(3S)-5-(3-chlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 97092937
N-[4-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 1093243
N-[4-[(3R)-2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081063
1-[(3R)-5-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 52764217
N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40840629
1-[3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 91095022
(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 139040547

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 42962525) is 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc2ncccc2c1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is GGLZOTIANWPJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-13(25)24-20(12-19(23-24)14-4-7-17(21)8-5-14)16-6-9-18-15(11-16)3-2-10-22-18/h2-11,20H,12H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 333.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 42962525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).