3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid

C16H19F3N4O3 — CID 167770709

IUPAC3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)CCc2ccccc2CN)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4O.C2HF3O2/c1-10-8-13(18-17-10)16-14(19)7-6-11-4-2-3-5-12(11)9-15;3-2(4,5)1(6)7/h2-5,8H,6-7,9,15H2,1H3,(H2,16,17,18,19);(H,6,7)
InChIKeyWNAXGSYYHLGJIK-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.38
Rot. Bonds5

About 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid

3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 167770709) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID167770709
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC Name3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)CCc2ccccc2CN)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N4O.C2HF3O2/c1-10-8-13(18-17-10)16-14(19)7-6-11-4-2-3-5-12(11)9-15;3-2(4,5)1(6)7/h2-5,8H,6-7,9,15H2,1H3,(H2,16,17,18,19);(H,6,7)
InChIKeyWNAXGSYYHLGJIK-UHFFFAOYSA-N
XLogP2.38
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid 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

3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
3-isoquinolin-5-yl-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167836834
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167872069
(2S)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167945977
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
CID 120611017
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid (CID 167770709) is 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid is Cc1cc(NC(=O)CCc2ccccc2CN)n[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is WNAXGSYYHLGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C2HF3O2/c1-10-8-13(18-17-10)16-14(19)7-6-11-4-2-3-5-12(11)9-15;3-2(4,5)1(6)7/h2-5,8H,6-7,9,15H2,1H3,(H2,16,17,18,19);(H,6,7).
What are the key properties of 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid?
3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 372.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167770709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).