[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone

C23H24FN3O — CID 86263894

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C23H24FN3O/c1-26-22(15-21(25-26)18-10-12-20(24)13-11-18)23(28)27-14-6-5-9-19(16-27)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19H,5-6,9,14,16H2,1H3
InChIKeyIMFUAOUUFKBANN-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.64
Rot. Bonds3

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone (PubChem CID 86263894) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone
PubChem CID86263894
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C23H24FN3O/c1-26-22(15-21(25-26)18-10-12-20(24)13-11-18)23(28)27-14-6-5-9-19(16-27)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19H,5-6,9,14,16H2,1H3
InChIKeyIMFUAOUUFKBANN-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone (CID 86263894) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone?
The InChIKey is IMFUAOUUFKBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-26-22(15-21(25-26)18-10-12-20(24)13-11-18)23(28)27-14-6-5-9-19(16-27)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19H,5-6,9,14,16H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone has a molecular weight of 377.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 86263894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).