N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C18H20F3N3O2 — CID 155953494

IUPACN-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NCC1(C(O)c2ccccc2)CC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N3O2/c1-12(24-10-7-14(23-24)18(19,20)21)16(26)22-11-17(8-9-17)15(25)13-5-3-2-4-6-13/h2-7,10,12,15,25H,8-9,11H2,1H3,(H,22,26)
InChIKeyIFZIGLRQLWLONQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.09
Rot. Bonds6

About N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155953494) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155953494
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NCC1(C(O)c2ccccc2)CC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N3O2/c1-12(24-10-7-14(23-24)18(19,20)21)16(26)22-11-17(8-9-17)15(25)13-5-3-2-4-6-13/h2-7,10,12,15,25H,8-9,11H2,1H3,(H,22,26)
InChIKeyIFZIGLRQLWLONQ-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide with MolForge

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Related Compounds

(2R)-2-amino-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]propanamide
CID 120873430
(2S)-N-[[1-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-2,4-dimethylpent-4-enamide
CID 99784868
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155955920
N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953596
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136556916
(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 154784899
N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
CID 62440996
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-morpholin-4-ylacetamide
CID 110011720
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913

Frequently Asked Questions

What is the IUPAC name of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155953494) is N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)NCC1(C(O)c2ccccc2)CC1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is IFZIGLRQLWLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12(24-10-7-14(23-24)18(19,20)21)16(26)22-11-17(8-9-17)15(25)13-5-3-2-4-6-13/h2-7,10,12,15,25H,8-9,11H2,1H3,(H,22,26).
What are the key properties of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155953494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).