(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one

C19H24N4O4 — CID 92627950

IUPAC(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1[nH]nc(-c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C19H24N4O4/c1-5-14-18(24)20-8-9-23(14)19(25)17-11(2)16(21-22-17)13-10-12(26-3)6-7-15(13)27-4/h6-7,10,14H,5,8-9H2,1-4H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyFHHOKTYXVOWGPK-CQSZACIVSA-N
MW372.43 g/mol
LogP1.75
Rot. Bonds5

About (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one

(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one (PubChem CID 92627950) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
PubChem CID92627950
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1[nH]nc(-c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C19H24N4O4/c1-5-14-18(24)20-8-9-23(14)19(25)17-11(2)16(21-22-17)13-10-12(26-3)6-7-15(13)27-4/h6-7,10,14H,5,8-9H2,1-4H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyFHHOKTYXVOWGPK-CQSZACIVSA-N
XLogP1.75
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one with MolForge

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Related Compounds

(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
CID 92613425
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
3-ethyl-4-[4-(2-fluoro-4-methoxyphenyl)naphthalene-1-carbonyl]piperazin-2-one
CID 172655604
1-[(1S,4R,9S,10R)-3-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]ethanone
CID 110141321
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63600417
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
CID 129471674
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one?
The IUPAC name of (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one (CID 92627950) is (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one?
The canonical SMILES for (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one is CC[C@@H]1C(=O)NCCN1C(=O)c1[nH]nc(-c2cc(OC)ccc2OC)c1C.
What is the InChIKey of (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one?
The InChIKey is FHHOKTYXVOWGPK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-14-18(24)20-8-9-23(14)19(25)17-11(2)16(21-22-17)13-10-12(26-3)6-7-15(13)27-4/h6-7,10,14H,5,8-9H2,1-4H3,(H,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one?
(3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one has a molecular weight of 372.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carbonyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 92627950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).