1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one

C19H24N4O3 — CID 46995780

IUPAC1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESCCCc1cc(C(=O)N2CCN(c3cccc(OC)c3)C(=O)C2C)n[nH]1
InChIInChI=1S/C19H24N4O3/c1-4-6-14-11-17(21-20-14)19(25)22-9-10-23(18(24)13(22)2)15-7-5-8-16(12-15)26-3/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,20,21)
InChIKeyPMGIGDNLTJIVKI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.25
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one

1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one (PubChem CID 46995780) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
PubChem CID46995780
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESCCCc1cc(C(=O)N2CCN(c3cccc(OC)c3)C(=O)C2C)n[nH]1
InChIInChI=1S/C19H24N4O3/c1-4-6-14-11-17(21-20-14)19(25)22-9-10-23(18(24)13(22)2)15-7-5-8-16(12-15)26-3/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,20,21)
InChIKeyPMGIGDNLTJIVKI-UHFFFAOYSA-N
XLogP2.25
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 37314651
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 95130698
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46990759
1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one
CID 176506109
formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one
CID 163341679

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one (CID 46995780) is 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one is CCCc1cc(C(=O)N2CCN(c3cccc(OC)c3)C(=O)C2C)n[nH]1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is PMGIGDNLTJIVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-6-14-11-17(21-20-14)19(25)22-9-10-23(18(24)13(22)2)15-7-5-8-16(12-15)26-3/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 356.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 46995780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).