5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C15H17F3N4O — CID 137183389

IUPAC5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCN1CCN(c2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2)CC1
InChIInChI=1S/C15H17F3N4O/c1-21-4-6-22(7-5-21)10-2-3-11(13(23)8-10)12-9-14(20-19-12)15(16,17)18/h2-3,8-9,23H,4-7H2,1H3,(H,19,20)
InChIKeyOZTJGYAKCDJYKJ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.55
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183389) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183389
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCN1CCN(c2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2)CC1
InChIInChI=1S/C15H17F3N4O/c1-21-4-6-22(7-5-21)10-2-3-11(13(23)8-10)12-9-14(20-19-12)15(16,17)18/h2-3,8-9,23H,4-7H2,1H3,(H,19,20)
InChIKeyOZTJGYAKCDJYKJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Amino-5-(pyrrolidin-
CID 137029371
2-[6-amino-5-[(2S)-2-methylpyrrolidin-1-yl]pyridazin-3-yl]phenol
CID 172442279
2-[6-amino-5-[(2S)-2-ethylpyrrolidin-1-yl]pyridazin-3-yl]phenol
CID 172447661
2-[6-amino-5-[(2R)-2-methylpyrrolidin-1-yl]pyridazin-3-yl]phenol
CID 172458732
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]-5-fluorophenol
CID 139187835
4-Methyl-2-(5-[4-dimethylaminophenyl]-lH-pyrazole-3-yl)phenol
CID 135518156
2-[3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl]phenol
CID 135926264
1-[4-[5-(2,3-difluoro-6-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-4-methylpiperazine
CID 134329146
3-(4-fluoro-2-hydroxyphenyl)4(piperazin-1-yl)-1H-pyrazole
CID 135492348
5-(4-chloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183361
5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183369
5-Amino-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183371

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183389) is 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is CN1CCN(c2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is OZTJGYAKCDJYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-21-4-6-22(7-5-21)10-2-3-11(13(23)8-10)12-9-14(20-19-12)15(16,17)18/h2-3,8-9,23H,4-7H2,1H3,(H,19,20).
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 326.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).