1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone

C23H28ClN3O — CID 46029805

IUPAC1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)CC1c1ccccc1Cl
InChIInChI=1S/C23H28ClN3O/c1-5-26(6-2)15-23(28)27-22(19-9-7-8-10-20(19)24)14-21(25-27)18-12-11-16(3)17(4)13-18/h7-13,22H,5-6,14-15H2,1-4H3
InChIKeyXMBIWGOIDFYLOB-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.98
Rot. Bonds6

About 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone

1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone (PubChem CID 46029805) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone
PubChem CID46029805
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)CC1c1ccccc1Cl
InChIInChI=1S/C23H28ClN3O/c1-5-26(6-2)15-23(28)27-22(19-9-7-8-10-20(19)24)14-21(25-27)18-12-11-16(3)17(4)13-18/h7-13,22H,5-6,14-15H2,1-4H3
InChIKeyXMBIWGOIDFYLOB-UHFFFAOYSA-N
XLogP4.98
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 93131912
N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 93131999
1-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 98411012
N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 51067798
1-[2-[5-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-methylurea
CID 83283451
2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46031132
2-chloro-1-[(3S)-5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93143934
1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 46030804
N-[2-[5-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 83283449
4-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78429738
4-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1145856
2-(diethylamino)-1-[(3R)-5-(3-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93228415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone (CID 46029805) is 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone is CCN(CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)CC1c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone?
The InChIKey is XMBIWGOIDFYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-5-26(6-2)15-23(28)27-22(19-9-7-8-10-20(19)24)14-21(25-27)18-12-11-16(3)17(4)13-18/h7-13,22H,5-6,14-15H2,1-4H3.
What are the key properties of 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone?
1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone has a molecular weight of 397.95 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone is sourced from PubChem (CID 46029805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).