[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H26N4O5 — CID 20910946

IUPAC[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O5/c1-31-20-13-17(14-21(32-2)22(20)33-3)23(29)27-9-11-28(12-10-27)24(30)19-15-18(25-26-19)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,26)
InChIKeyFURUDWPNTPSFLL-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.70
Rot. Bonds6

About [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 20910946) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID20910946
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O5/c1-31-20-13-17(14-21(32-2)22(20)33-3)23(29)27-9-11-28(12-10-27)24(30)19-15-18(25-26-19)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,26)
InChIKeyFURUDWPNTPSFLL-UHFFFAOYSA-N
XLogP2.70
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 1378646
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872467
(3-Phenyl-1H-pyrazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53364125
(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one
CID 90718192
(E)-1-(4-methoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one
CID 117928187
(E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 117928249
(E)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one
CID 117928316
3-(3,4-dimethoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027679
N-(6-sulfanylhexyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 127027680
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
3-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-5-carbohydrazide
CID 833281

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 20910946) is [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FURUDWPNTPSFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-31-20-13-17(14-21(32-2)22(20)33-3)23(29)27-9-11-28(12-10-27)24(30)19-15-18(25-26-19)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,26).
What are the key properties of [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 450.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 20910946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).