1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine

C17H23FN4 — CID 138041241

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
SMILESCc1cc(C)n(CCN2CCNCC2c2cccc(F)c2)n1
InChIInChI=1S/C17H23FN4/c1-13-10-14(2)22(20-13)9-8-21-7-6-19-12-17(21)15-4-3-5-16(18)11-15/h3-5,10-11,17,19H,6-9,12H2,1-2H3
InChIKeyOAHZBJVRYALVHJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine

1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine (PubChem CID 138041241) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
PubChem CID138041241
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
SMILESCc1cc(C)n(CCN2CCNCC2c2cccc(F)c2)n1
InChIInChI=1S/C17H23FN4/c1-13-10-14(2)22(20-13)9-8-21-7-6-19-12-17(21)15-4-3-5-16(18)11-15/h3-5,10-11,17,19H,6-9,12H2,1-2H3
InChIKeyOAHZBJVRYALVHJ-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 120756895
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120756233
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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine (CID 138041241) is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine is Cc1cc(C)n(CCN2CCNCC2c2cccc(F)c2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine?
The InChIKey is OAHZBJVRYALVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-13-10-14(2)22(20-13)9-8-21-7-6-19-12-17(21)15-4-3-5-16(18)11-15/h3-5,10-11,17,19H,6-9,12H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine?
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine has a molecular weight of 302.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 138041241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).