furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone

C24H23N5O3 — CID 20915108

IUPACfuran-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C24H23N5O3/c1-18-6-8-19(9-7-18)29-22(26-10-2-3-11-26)20(17-25-29)23(30)27-12-14-28(15-13-27)24(31)21-5-4-16-32-21/h2-11,16-17H,12-15H2,1H3
InChIKeyWXBGYEVTGOHPTB-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.16
Rot. Bonds4

About furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 20915108) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID20915108
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Namefuran-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C24H23N5O3/c1-18-6-8-19(9-7-18)29-22(26-10-2-3-11-26)20(17-25-29)23(30)27-12-14-28(15-13-27)24(31)21-5-4-16-32-21/h2-11,16-17H,12-15H2,1H3
InChIKeyWXBGYEVTGOHPTB-UHFFFAOYSA-N
XLogP3.16
TPSA76.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20915103
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20915096
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915101
furan-2-yl-[4-[6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 42673570
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38908946
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 6623449
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
(4-cyclohexylpiperazin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915390
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78848478
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 20915108) is furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone is Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1.
What is the InChIKey of furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is WXBGYEVTGOHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-18-6-8-19(9-7-18)29-22(26-10-2-3-11-26)20(17-25-29)23(30)27-12-14-28(15-13-27)24(31)21-5-4-16-32-21/h2-11,16-17H,12-15H2,1H3.
What are the key properties of furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 429.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 20915108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).