2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C20H29FN4O — CID 45175484

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)n1cc(CN2CCN(Cc3ccccc3F)C(CCO)C2)cn1
InChIInChI=1S/C20H29FN4O/c1-16(2)25-13-17(11-22-25)12-23-8-9-24(19(15-23)7-10-26)14-18-5-3-4-6-20(18)21/h3-6,11,13,16,19,26H,7-10,12,14-15H2,1-2H3
InChIKeyUQTOXLCVBXNSJW-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.67
Rot. Bonds7

About 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45175484) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45175484
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)n1cc(CN2CCN(Cc3ccccc3F)C(CCO)C2)cn1
InChIInChI=1S/C20H29FN4O/c1-16(2)25-13-17(11-22-25)12-23-8-9-24(19(15-23)7-10-26)14-18-5-3-4-6-20(18)21/h3-6,11,13,16,19,26H,7-10,12,14-15H2,1-2H3
InChIKeyUQTOXLCVBXNSJW-UHFFFAOYSA-N
XLogP2.67
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45175484) is 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CC(C)n1cc(CN2CCN(Cc3ccccc3F)C(CCO)C2)cn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is UQTOXLCVBXNSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-16(2)25-13-17(11-22-25)12-23-8-9-24(19(15-23)7-10-26)14-18-5-3-4-6-20(18)21/h3-6,11,13,16,19,26H,7-10,12,14-15H2,1-2H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 360.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45175484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).