2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C19H27FN4O — CID 29212798

IUPAC2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO
InChIInChI=1S/C19H27FN4O/c1-15(2)23-9-8-22(14-17(23)7-10-25)12-16-11-21-24(13-16)19-6-4-3-5-18(19)20/h3-6,11,13,15,17,25H,7-10,12,14H2,1-2H3/t17-/m0/s1
InChIKeyMRBCARARFOYCTN-KRWDZBQOSA-N
MW346.45 g/mol
LogP2.29
Rot. Bonds6

About 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 29212798) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID29212798
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO
InChIInChI=1S/C19H27FN4O/c1-15(2)23-9-8-22(14-17(23)7-10-25)12-16-11-21-24(13-16)19-6-4-3-5-18(19)20/h3-6,11,13,15,17,25H,7-10,12,14H2,1-2H3/t17-/m0/s1
InChIKeyMRBCARARFOYCTN-KRWDZBQOSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 29212798) is 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is MRBCARARFOYCTN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-15(2)23-9-8-22(14-17(23)7-10-25)12-16-11-21-24(13-16)19-6-4-3-5-18(19)20/h3-6,11,13,15,17,25H,7-10,12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 29212798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).