2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol

C19H27FN4O — CID 45183844

IUPAC2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C)C(CCO)C1
InChIInChI=1S/C19H27FN4O/c1-14-19(13-23-10-9-22(3)18(12-23)8-11-25)15(2)24(21-14)17-6-4-16(20)5-7-17/h4-7,18,25H,8-13H2,1-3H3
InChIKeyRYADNHRPMVRZJM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45183844) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45183844
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C)C(CCO)C1
InChIInChI=1S/C19H27FN4O/c1-14-19(13-23-10-9-22(3)18(12-23)8-11-25)15(2)24(21-14)17-6-4-16(20)5-7-17/h4-7,18,25H,8-13H2,1-3H3
InChIKeyRYADNHRPMVRZJM-UHFFFAOYSA-N
XLogP2.13
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol (CID 45183844) is 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol is Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C)C(CCO)C1.
What is the InChIKey of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is RYADNHRPMVRZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-14-19(13-23-10-9-22(3)18(12-23)8-11-25)15(2)24(21-14)17-6-4-16(20)5-7-17/h4-7,18,25H,8-13H2,1-3H3.
What are the key properties of 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45183844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).