2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C24H30N4O2 — CID 93229733

IUPAC2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2OC)CC1
InChIInChI=1S/C24H30N4O2/c1-3-26-13-15-27(16-14-26)18-24(29)28-22(20-11-7-8-12-23(20)30-2)17-21(25-28)19-9-5-4-6-10-19/h4-12,22H,3,13-18H2,1-2H3/t22-/m1/s1
InChIKeyAVTPQNCFAUGHHR-JOCHJYFZSA-N
MW406.53 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 93229733) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID93229733
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2OC)CC1
InChIInChI=1S/C24H30N4O2/c1-3-26-13-15-27(16-14-26)18-24(29)28-22(20-11-7-8-12-23(20)30-2)17-21(25-28)19-9-5-4-6-10-19/h4-12,22H,3,13-18H2,1-2H3/t22-/m1/s1
InChIKeyAVTPQNCFAUGHHR-JOCHJYFZSA-N
XLogP3.01
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-5-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93229825
1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 46030845
2-(4-acetylpiperazin-1-yl)-1-[(3R)-5-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93226900
1-[(3R)-5-(3-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 93229859
1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 46030804
1-[2-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 93228048
1-[(3R)-3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93228675
1-[5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 46031267
1-[(3R)-3-(2,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93228797
ethyl 1-[2-[(3S)-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 93229780
4-[3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 2885924
ethyl 1-[2-[(3R)-3-(2,5-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 93228900

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 93229733) is 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CCN1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2OC)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is AVTPQNCFAUGHHR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-26-13-15-27(16-14-26)18-24(29)28-22(20-11-7-8-12-23(20)30-2)17-21(25-28)19-9-5-4-6-10-19/h4-12,22H,3,13-18H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-[(3R)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 93229733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).