1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine

C22H25FN4 — CID 5026762

IUPAC1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1C
InChIInChI=1S/C22H25FN4/c1-16-7-8-18(13-17(16)2)22-19(14-24-25-22)15-26-9-11-27(12-10-26)21-6-4-3-5-20(21)23/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25)
InChIKeyKGPUIDWDWRJHFD-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.15
Rot. Bonds4

About 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine

1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 5026762) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine
PubChem CID5026762
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1C
InChIInChI=1S/C22H25FN4/c1-16-7-8-18(13-17(16)2)22-19(14-24-25-22)15-26-9-11-27(12-10-26)21-6-4-3-5-20(21)23/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25)
InChIKeyKGPUIDWDWRJHFD-UHFFFAOYSA-N
XLogP4.15
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine (CID 5026762) is 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine is Cc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1C.
What is the InChIKey of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is KGPUIDWDWRJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-16-7-8-18(13-17(16)2)22-19(14-24-25-22)15-26-9-11-27(12-10-26)21-6-4-3-5-20(21)23/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25).
What are the key properties of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine?
1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 364.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 5026762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).