3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

C18H22F3N3O2 — CID 118792232

IUPAC3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)CCc2cccc(O)c2)n1
InChIInChI=1S/C18H22F3N3O2/c1-12(11-24-16(18(19,20)21)8-13(2)23-24)10-22-17(26)7-6-14-4-3-5-15(25)9-14/h3-5,8-9,12,25H,6-7,10-11H2,1-2H3,(H,22,26)
InChIKeyZUGLNNSIEIVBLS-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.30
Rot. Bonds7

About 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (PubChem CID 118792232) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
PubChem CID118792232
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)CCc2cccc(O)c2)n1
InChIInChI=1S/C18H22F3N3O2/c1-12(11-24-16(18(19,20)21)8-13(2)23-24)10-22-17(26)7-6-14-4-3-5-15(25)9-14/h3-5,8-9,12,25H,6-7,10-11H2,1-2H3,(H,22,26)
InChIKeyZUGLNNSIEIVBLS-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70772509
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide
CID 56863849
N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 72844797
3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 75443714
3-[(1S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propylamino]ethyl]phenol
CID 124627968
N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 138016933
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide
CID 164633164
(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide
CID 164641903
3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 67997400
N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-3-(3-hydroxyphenyl)propanamide
CID 68759556
2-[(2,5-Dimethylpyrazol-3-yl)methyl]-4-[2-(3-fluorophenyl)ethyl]-5-(2-hydroxyphenyl)-6-methylpyridazin-3-one
CID 69409048
3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 123302847

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The IUPAC name of 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (CID 118792232) is 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The canonical SMILES for 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)CCc2cccc(O)c2)n1.
What is the InChIKey of 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The InChIKey is ZUGLNNSIEIVBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-12(11-24-16(18(19,20)21)8-13(2)23-24)10-22-17(26)7-6-14-4-3-5-15(25)9-14/h3-5,8-9,12,25H,6-7,10-11H2,1-2H3,(H,22,26).
What are the key properties of 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide has a molecular weight of 369.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is sourced from PubChem (CID 118792232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).