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

C20H16ClN3O — CID 25337269

IUPAC1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2ncccc2c1
InChIInChI=1S/C20H16ClN3O/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/t20-/m1/s1
InChIKeyTWZFHYSLPMQESF-HXUWFJFHSA-N
MW349.82 g/mol
LogP4.59
Rot. Bonds2

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

1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 25337269) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID25337269
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2ncccc2c1
InChIInChI=1S/C20H16ClN3O/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/t20-/m1/s1
InChIKeyTWZFHYSLPMQESF-HXUWFJFHSA-N
XLogP4.59
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 42962525
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
1-[5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 42650673
1-[(3S)-5-(3-chlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 97092937
1-[3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 91095022
[4-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 163544555
1-[5-(4-chlorophenyl)-3-(4-methoxy-3-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71722284
N-[4-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 1093243
1-[3-(4-chlorophenyl)-5-(2,6-dihydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135453059
N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40840629
1-[5-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 5083839
[4-[5-(4-chlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]oxymethyl 2,2-dimethylpropanoate
CID 170949141

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 25337269) is 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2ncccc2c1.
What is the InChIKey of 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is TWZFHYSLPMQESF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16ClN3O/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/t20-/m1/s1.
What are the key properties of 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone?
1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 349.82 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-(4-chlorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 25337269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).