(1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol

C19H27FN4O — CID 95338006

IUPAC(1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCC[C@H]1CN(CCn2cccn2)CCN1C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O/c1-2-18-14-22(11-13-24-9-3-8-21-24)10-12-23(18)15-19(25)16-4-6-17(20)7-5-16/h3-9,18-19,25H,2,10-15H2,1H3/t18-,19-/m0/s1
InChIKeySNLWRGWRTCRJAV-OALUTQOASA-N
MW346.45 g/mol
LogP2.15
Rot. Bonds7

About (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol

(1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 95338006) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
PubChem CID95338006
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name(1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCC[C@H]1CN(CCn2cccn2)CCN1C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O/c1-2-18-14-22(11-13-24-9-3-8-21-24)10-12-23(18)15-19(25)16-4-6-17(20)7-5-16/h3-9,18-19,25H,2,10-15H2,1H3/t18-,19-/m0/s1
InChIKeySNLWRGWRTCRJAV-OALUTQOASA-N
XLogP2.15
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol (CID 95338006) is (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is CC[C@H]1CN(CCn2cccn2)CCN1C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is SNLWRGWRTCRJAV-OALUTQOASA-N. The full InChI is InChI=1S/C19H27FN4O/c1-2-18-14-22(11-13-24-9-3-8-21-24)10-12-23(18)15-19(25)16-4-6-17(20)7-5-16/h3-9,18-19,25H,2,10-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol?
(1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 346.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 95338006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).