3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

C14H15F3N4O — CID 120611080

IUPAC3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)9-21-8-11(7-19-21)20-13(22)6-5-10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,9,18H2,(H,20,22)
InChIKeyZDTNKNMXJCMMDJ-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.60
Rot. Bonds5

About 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (PubChem CID 120611080) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
PubChem CID120611080
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC Name3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)9-21-8-11(7-19-21)20-13(22)6-5-10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,9,18H2,(H,20,22)
InChIKeyZDTNKNMXJCMMDJ-UHFFFAOYSA-N
XLogP2.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 107273013
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 120611492
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (CID 120611080) is 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is Nc1ccccc1CCC(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The InChIKey is ZDTNKNMXJCMMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)9-21-8-11(7-19-21)20-13(22)6-5-10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,9,18H2,(H,20,22).
What are the key properties of 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide has a molecular weight of 312.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 120611080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).