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

C24H31N3O2 — CID 46031132

IUPAC2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2cccc(OC)c2)CC1c1cc(C)ccc1C
InChIInChI=1S/C24H31N3O2/c1-6-26(7-2)16-24(28)27-23(21-13-17(3)11-12-18(21)4)15-22(25-27)19-9-8-10-20(14-19)29-5/h8-14,23H,6-7,15-16H2,1-5H3
InChIKeyWAUBGGQLOZOEHK-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.33
Rot. Bonds7

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

2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 46031132) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID46031132
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2cccc(OC)c2)CC1c1cc(C)ccc1C
InChIInChI=1S/C24H31N3O2/c1-6-26(7-2)16-24(28)27-23(21-13-17(3)11-12-18(21)4)15-22(25-27)19-9-8-10-20(14-19)29-5/h8-14,23H,6-7,15-16H2,1-5H3
InChIKeyWAUBGGQLOZOEHK-UHFFFAOYSA-N
XLogP4.33
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-[(3R)-5-(3-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93228415
1-[(3R)-5-(3-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 93229459
1-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(diethylamino)ethanone
CID 46029805
1-[2-[(3S)-3-(2-methoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
CID 93134047
2-[benzyl(methyl)amino]-1-[(3S)-3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93229154
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(3-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46031287
2-[benzyl(methyl)amino]-1-[(3R)-3-(2,4-dimethoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93228275
2-[benzyl(methyl)amino]-1-[3-(2,4-dimethoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46030719
2-[benzyl(methyl)amino]-1-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46031640
N-[2-[(3R)-3-(2,5-dimethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 93134209
N-[2-[(3R)-3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylpropanamide
CID 93133589
N-[2-[(3R)-3-(2-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 93133483

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 46031132) is 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is CCN(CC)CC(=O)N1N=C(c2cccc(OC)c2)CC1c1cc(C)ccc1C.
What is the InChIKey of 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is WAUBGGQLOZOEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-6-26(7-2)16-24(28)27-23(21-13-17(3)11-12-18(21)4)15-22(25-27)19-9-8-10-20(14-19)29-5/h8-14,23H,6-7,15-16H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 393.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[3-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 46031132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).