2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C19H27FN4O — CID 98588112

IUPAC2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO
InChIInChI=1S/C19H27FN4O/c1-15(2)23-10-9-22(14-18(23)6-11-25)13-16-12-17(20)4-5-19(16)24-8-3-7-21-24/h3-5,7-8,12,15,18,25H,6,9-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyLHSGEUXVJGRPCN-GOSISDBHSA-N
MW346.45 g/mol
LogP2.29
Rot. Bonds6

About 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 98588112) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID98588112
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO
InChIInChI=1S/C19H27FN4O/c1-15(2)23-10-9-22(14-18(23)6-11-25)13-16-12-17(20)4-5-19(16)24-8-3-7-21-24/h3-5,7-8,12,15,18,25H,6,9-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyLHSGEUXVJGRPCN-GOSISDBHSA-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

Analyze 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51901854
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98573073
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137341336
2-[1-(3-methylbut-2-enyl)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45197047
(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 98677649
2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 98588112) is 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is LHSGEUXVJGRPCN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-15(2)23-10-9-22(14-18(23)6-11-25)13-16-12-17(20)4-5-19(16)24-8-3-7-21-24/h3-5,7-8,12,15,18,25H,6,9-11,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)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-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98588112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).