[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C20H23FN6O — CID 71788598

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C20H23FN6O/c1-24-19(14-18(23-24)16-2-4-17(21)5-3-16)20(28)27-12-10-25(11-13-27)8-9-26-7-6-22-15-26/h2-7,14-15H,8-13H2,1H3
InChIKeyVCLAXHQRAUWYBK-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.88
Rot. Bonds5

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 71788598) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID71788598
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C20H23FN6O/c1-24-19(14-18(23-24)16-2-4-17(21)5-3-16)20(28)27-12-10-25(11-13-27)8-9-26-7-6-22-15-26/h2-7,14-15H,8-13H2,1H3
InChIKeyVCLAXHQRAUWYBK-UHFFFAOYSA-N
XLogP1.88
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 71788598) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is VCLAXHQRAUWYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-24-19(14-18(23-24)16-2-4-17(21)5-3-16)20(28)27-12-10-25(11-13-27)8-9-26-7-6-22-15-26/h2-7,14-15H,8-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71788598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).