1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride

C15H18ClF3N4 — CID 120768691

IUPAC1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2Cc2ccn(C(F)F)n2)c1
InChIInChI=1S/C15H17F3N4.ClH/c16-12-3-1-2-11(8-12)14-9-19-5-7-21(14)10-13-4-6-22(20-13)15(17)18;/h1-4,6,8,14-15,19H,5,7,9-10H2;1H
InChIKeyZQOHTJILOWPOFM-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.99
Rot. Bonds4

About 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride (PubChem CID 120768691) has the molecular formula C15H18ClF3N4 and a molecular weight of 346.78 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
PubChem CID120768691
Molecular FormulaC15H18ClF3N4
Molecular Weight346.78 g/mol
Exact Mass346.12
IUPAC Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2Cc2ccn(C(F)F)n2)c1
InChIInChI=1S/C15H17F3N4.ClH/c16-12-3-1-2-11(8-12)14-9-19-5-7-21(14)10-13-4-6-22(20-13)15(17)18;/h1-4,6,8,14-15,19H,5,7,9-10H2;1H
InChIKeyZQOHTJILOWPOFM-UHFFFAOYSA-N
XLogP2.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 120756439
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120768597
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride (CID 120768691) is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride is Cl.Fc1cccc(C2CNCCN2Cc2ccn(C(F)F)n2)c1.
What is the InChIKey of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride?
The InChIKey is ZQOHTJILOWPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4.ClH/c16-12-3-1-2-11(8-12)14-9-19-5-7-21(14)10-13-4-6-22(20-13)15(17)18;/h1-4,6,8,14-15,19H,5,7,9-10H2;1H.
What are the key properties of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride?
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride has a molecular weight of 346.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 120768691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).