1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone

C24H22N4O4 — CID 32538830

IUPAC1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C24H22N4O4/c1-31-21-16-28(18-8-3-2-4-9-18)25-22(21)24(30)27-13-11-26(12-14-27)23(29)20-15-17-7-5-6-10-19(17)32-20/h2-10,15-16H,11-14H2,1H3
InChIKeyYFFGLCDRDZGGSE-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.23
Rot. Bonds4

About 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 32538830) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID32538830
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C24H22N4O4/c1-31-21-16-28(18-8-3-2-4-9-18)25-22(21)24(30)27-13-11-26(12-14-27)23(29)20-15-17-7-5-6-10-19(17)32-20/h2-10,15-16H,11-14H2,1H3
InChIKeyYFFGLCDRDZGGSE-UHFFFAOYSA-N
XLogP3.23
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 134020644
(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55716386
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55904023
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-[(4-fluoro-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 138378120
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 32538830) is 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone is COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YFFGLCDRDZGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-31-21-16-28(18-8-3-2-4-9-18)25-22(21)24(30)27-13-11-26(12-14-27)23(29)20-15-17-7-5-6-10-19(17)32-20/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 430.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32538830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).