2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol

C19H27FN4O — CID 45176131

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(Cc3ccc(F)cc3)C(CCO)C2)cnn1C
InChIInChI=1S/C19H27FN4O/c1-15-17(11-21-22(15)2)13-23-8-9-24(19(14-23)7-10-25)12-16-3-5-18(20)6-4-16/h3-6,11,19,25H,7-10,12-14H2,1-2H3
InChIKeyRSNCPFJYFHWASG-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45176131) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45176131
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(Cc3ccc(F)cc3)C(CCO)C2)cnn1C
InChIInChI=1S/C19H27FN4O/c1-15-17(11-21-22(15)2)13-23-8-9-24(19(14-23)7-10-25)12-16-3-5-18(20)6-4-16/h3-6,11,19,25H,7-10,12-14H2,1-2H3
InChIKeyRSNCPFJYFHWASG-UHFFFAOYSA-N
XLogP1.94
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 45176131) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol is Cc1c(CN2CCN(Cc3ccc(F)cc3)C(CCO)C2)cnn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is RSNCPFJYFHWASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-15-17(11-21-22(15)2)13-23-8-9-24(19(14-23)7-10-25)12-16-3-5-18(20)6-4-16/h3-6,11,19,25H,7-10,12-14H2,1-2H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45176131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).