[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

C26H26ClN5O — CID 20915242

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCc1ccc(-n2nc(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C26H26ClN5O/c1-19-8-10-22(11-9-19)32-25(30-12-3-4-13-30)24(20(2)28-32)26(33)31-16-14-29(15-17-31)23-7-5-6-21(27)18-23/h3-13,18H,14-17H2,1-2H3
InChIKeyLRXMYBNZEWPSPP-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.90
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 20915242) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID20915242
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCc1ccc(-n2nc(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C26H26ClN5O/c1-19-8-10-22(11-9-19)32-25(30-12-3-4-13-30)24(20(2)28-32)26(33)31-16-14-29(15-17-31)23-7-5-6-21(27)18-23/h3-13,18H,14-17H2,1-2H3
InChIKeyLRXMYBNZEWPSPP-UHFFFAOYSA-N
XLogP4.90
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936655
(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 20892633
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 10094128
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate
CID 46277002
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20892732
[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 110691694
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 110691904
[(2S)-2-ethylpiperidin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 92706232
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone
CID 27808374

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 20915242) is [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is Cc1ccc(-n2nc(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2-n2cccc2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is LRXMYBNZEWPSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O/c1-19-8-10-22(11-9-19)32-25(30-12-3-4-13-30)24(20(2)28-32)26(33)31-16-14-29(15-17-31)23-7-5-6-21(27)18-23/h3-13,18H,14-17H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 459.98 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20915242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).