[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone

C27H32FN5O — CID 20924227

IUPAC[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C3CCNCC3)CC2)c(C)c1
InChIInChI=1S/C27H32FN5O/c1-19-3-8-25(20(2)17-19)31-13-15-32(16-14-31)27(34)24-18-30-33(23-6-4-22(28)5-7-23)26(24)21-9-11-29-12-10-21/h3-8,17-18,21,29H,9-16H2,1-2H3
InChIKeyXXSZJMDOZFVGFU-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.06
Rot. Bonds4

About [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone (PubChem CID 20924227) has the molecular formula C27H32FN5O and a molecular weight of 461.59 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
PubChem CID20924227
Molecular FormulaC27H32FN5O
Molecular Weight461.59 g/mol
Exact Mass461.26
IUPAC Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C3CCNCC3)CC2)c(C)c1
InChIInChI=1S/C27H32FN5O/c1-19-3-8-25(20(2)17-19)31-13-15-32(16-14-31)27(34)24-18-30-33(23-6-4-22(28)5-7-23)26(24)21-9-11-29-12-10-21/h3-8,17-18,21,29H,9-16H2,1-2H3
InChIKeyXXSZJMDOZFVGFU-UHFFFAOYSA-N
XLogP4.06
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone with MolForge

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Related Compounds

[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845
tert-butyl 4-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280957
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
CID 146059766
[1-(3-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20924189
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20918581
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(2-fluoro-4-pyrrolidin-3-ylphenyl)methanone
CID 141265309
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924097
(4-methylpiperazin-1-yl)-[1-(4-nitrophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 46280255
[1-(2-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146053322
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-ylpyrazol-4-yl)methanone;hydrochloride
CID 146053307

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone (CID 20924227) is [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C3CCNCC3)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The InChIKey is XXSZJMDOZFVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O/c1-19-3-8-25(20(2)17-19)31-13-15-32(16-14-31)27(34)24-18-30-33(23-6-4-22(28)5-7-23)26(24)21-9-11-29-12-10-21/h3-8,17-18,21,29H,9-16H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone has a molecular weight of 461.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20924227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).