furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone

C25H25N5O3 — CID 20915266

IUPACfuran-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C25H25N5O3/c1-18-7-9-20(10-8-18)30-23(27-11-3-4-12-27)22(19(2)26-30)25(32)29-15-13-28(14-16-29)24(31)21-6-5-17-33-21/h3-12,17H,13-16H2,1-2H3
InChIKeyPESOUYVWWNUPGK-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.47
Rot. Bonds4

About furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 20915266) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID20915266
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Namefuran-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C25H25N5O3/c1-18-7-9-20(10-8-18)30-23(27-11-3-4-12-27)22(19(2)26-30)25(32)29-15-13-28(14-16-29)24(31)21-6-5-17-33-21/h3-12,17H,13-16H2,1-2H3
InChIKeyPESOUYVWWNUPGK-UHFFFAOYSA-N
XLogP3.47
TPSA76.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 20915266) is furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone is Cc1ccc(-n2nc(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1.
What is the InChIKey of furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is PESOUYVWWNUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-18-7-9-20(10-8-18)30-23(27-11-3-4-12-27)22(19(2)26-30)25(32)29-15-13-28(14-16-29)24(31)21-6-5-17-33-21/h3-12,17H,13-16H2,1-2H3.
What are the key properties of furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 443.51 g/mol, XLogP of 3.47, 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-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 20915266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).