3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one

C19H25FN4O — CID 45106862

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one
SMILESCc1cc(C)n(C(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H25FN4O/c1-14-12-15(2)24(21-14)16(3)13-19(25)23-10-8-22(9-11-23)18-6-4-17(20)5-7-18/h4-7,12,16H,8-11,13H2,1-3H3
InChIKeyPFCBJRNVJRAGKJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.94
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one (PubChem CID 45106862) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one
PubChem CID45106862
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one
SMILESCc1cc(C)n(C(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H25FN4O/c1-14-12-15(2)24(21-14)16(3)13-19(25)23-10-8-22(9-11-23)18-6-4-17(20)5-7-18/h4-7,12,16H,8-11,13H2,1-3H3
InChIKeyPFCBJRNVJRAGKJ-UHFFFAOYSA-N
XLogP2.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one (CID 45106862) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one is Cc1cc(C)n(C(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one?
The InChIKey is PFCBJRNVJRAGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-12-15(2)24(21-14)16(3)13-19(25)23-10-8-22(9-11-23)18-6-4-17(20)5-7-18/h4-7,12,16H,8-11,13H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one has a molecular weight of 344.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 45106862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).