(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide

C14H14F3N3O2 — CID 92708068

IUPAC(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESC[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)n1cccn1
InChIInChI=1S/C14H14F3N3O2/c1-10(20-8-2-7-18-20)9-13(21)19-11-3-5-12(6-4-11)22-14(15,16)17/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyDQZPDKJVBPLHNU-SNVBAGLBSA-N
MW313.28 g/mol
LogP3.37
Rot. Bonds5

About (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide

(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 92708068) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID92708068
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESC[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)n1cccn1
InChIInChI=1S/C14H14F3N3O2/c1-10(20-8-2-7-18-20)9-13(21)19-11-3-5-12(6-4-11)22-14(15,16)17/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyDQZPDKJVBPLHNU-SNVBAGLBSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46340049
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
(3S)-N-(4-bromo-3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708037
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
CID 92708090
(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708012
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-propan-2-ylazanium
CID 2098849
N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 122161523
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71799683

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 92708068) is (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide is C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)n1cccn1.
What is the InChIKey of (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is DQZPDKJVBPLHNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-10(20-8-2-7-18-20)9-13(21)19-11-3-5-12(6-4-11)22-14(15,16)17/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide?
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 313.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 92708068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).