(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide

C20H18F3N3O2 — CID 39189099

IUPAC(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-2-18(28-15-7-4-3-5-8-15)19(27)25-17-10-9-14(26-12-6-11-24-26)13-16(17)20(21,22)23/h3-13,18H,2H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyGGXNOYPLRJIIIJ-GOSISDBHSA-N
MW389.38 g/mol
LogP4.69
Rot. Bonds6

About (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide

(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide (PubChem CID 39189099) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
PubChem CID39189099
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-2-18(28-15-7-4-3-5-8-15)19(27)25-17-10-9-14(26-12-6-11-24-26)13-16(17)20(21,22)23/h3-13,18H,2H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyGGXNOYPLRJIIIJ-GOSISDBHSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-[2-(dimethylamino)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 47033764
2-methyl-N-[3-oxo-3-[4-pyrazol-1-yl-2-(trifluoromethyl)anilino]propyl]benzamide
CID 55610762
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 51115361
2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
3-methyl-4-(2-phenoxybutanoylamino)benzoic acid
CID 17342639
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 100561674
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide (CID 39189099) is (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F.
What is the InChIKey of (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is GGXNOYPLRJIIIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-2-18(28-15-7-4-3-5-8-15)19(27)25-17-10-9-14(26-12-6-11-24-26)13-16(17)20(21,22)23/h3-13,18H,2H2,1H3,(H,25,27)/t18-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide?
(2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 389.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 39189099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).