[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C26H25FN4O2 — CID 1053794

IUPAC[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C26H25FN4O2/c1-18-9-10-22(19(2)16-18)31-24(17-21(28-31)25-8-5-15-33-25)26(32)30-13-11-29(12-14-30)23-7-4-3-6-20(23)27/h3-10,15-17H,11-14H2,1-2H3
InChIKeyDIKVCKCQSQBCET-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.85
Rot. Bonds4

About [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1053794) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1053794
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C26H25FN4O2/c1-18-9-10-22(19(2)16-18)31-24(17-21(28-31)25-8-5-15-33-25)26(32)30-13-11-29(12-14-30)23-7-4-3-6-20(23)27/h3-10,15-17H,11-14H2,1-2H3
InChIKeyDIKVCKCQSQBCET-UHFFFAOYSA-N
XLogP4.85
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 1053819
[1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42762330
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone
CID 42880998
(3-fluoro-4-methylphenyl)-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 55878777
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]methanone
CID 4040935
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
(4-benzhydrylpiperazin-1-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 1053847
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 1053794) is [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DIKVCKCQSQBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-18-9-10-22(19(2)16-18)31-24(17-21(28-31)25-8-5-15-33-25)26(32)30-13-11-29(12-14-30)23-7-4-3-6-20(23)27/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 444.51 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1053794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).