1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone

C19H20FN3O — CID 42795722

IUPAC1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1N=C(c2ccccc2F)CC1c1ccc(C)cc1
InChIInChI=1S/C19H20FN3O/c1-13-7-9-14(10-8-13)18-11-17(15-5-3-4-6-16(15)20)22-23(18)19(24)12-21-2/h3-10,18,21H,11-12H2,1-2H3
InChIKeyRZLWKGNGRZEKLD-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.03
Rot. Bonds4

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

1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone (PubChem CID 42795722) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone
PubChem CID42795722
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1N=C(c2ccccc2F)CC1c1ccc(C)cc1
InChIInChI=1S/C19H20FN3O/c1-13-7-9-14(10-8-13)18-11-17(15-5-3-4-6-16(15)20)22-23(18)19(24)12-21-2/h3-10,18,21H,11-12H2,1-2H3
InChIKeyRZLWKGNGRZEKLD-UHFFFAOYSA-N
XLogP3.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylcyclopropanecarboxamide
CID 93130860
3-tert-butyl-1-[2-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
CID 83288267
1-[5-(2-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 46029769
2-fluoro-N-[2-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylbenzamide
CID 83283430
2-(4-ethylpiperazin-1-yl)-1-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46029908
1-[5-(2,5-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 46030767
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42844632
N-[2-[(3S)-5-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 93133110
4-[(3R)-5-[2-(methanesulfonamido)phenyl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 51456948
3-fluoro-N-[2-[(3R)-5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 98440122
3-tert-butyl-1-[2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylurea
CID 51067979
2-ethyl-1-[(3R)-5-(2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one
CID 135958769

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone (CID 42795722) is 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone is CNCC(=O)N1N=C(c2ccccc2F)CC1c1ccc(C)cc1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone?
The InChIKey is RZLWKGNGRZEKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-13-7-9-14(10-8-13)18-11-17(15-5-3-4-6-16(15)20)22-23(18)19(24)12-21-2/h3-10,18,21H,11-12H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone?
1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone has a molecular weight of 325.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 42795722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).