2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide

C20H19F3N4O2 — CID 118625559

IUPAC2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cc(NC(=O)C(N)Cc2cccc(C(F)(F)F)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19F3N4O2/c1-29-18-9-15(5-6-16(18)13-10-25-26-11-13)27-19(28)17(24)8-12-3-2-4-14(7-12)20(21,22)23/h2-7,9-11,17H,8,24H2,1H3,(H,25,26)(H,27,28)
InChIKeyXZUISHZDSNKZPI-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.61
Rot. Bonds6

About 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide

2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 118625559) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID118625559
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cc(NC(=O)C(N)Cc2cccc(C(F)(F)F)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19F3N4O2/c1-29-18-9-15(5-6-16(18)13-10-25-26-11-13)27-19(28)17(24)8-12-3-2-4-14(7-12)20(21,22)23/h2-7,9-11,17H,8,24H2,1H3,(H,25,26)(H,27,28)
InChIKeyXZUISHZDSNKZPI-UHFFFAOYSA-N
XLogP3.61
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]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-(3-methoxyanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-methylpropanamide
CID 90178108
2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 90178158
(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide
CID 117074618
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
(2R)-2-amino-N-[2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(1H-pyrazol-4-yl)phenyl]-3-(3-fluorophenyl)propanamide;tris(2,2,2-trifluoroacetic acid)
CID 117075491
2-amino-N-(4-benzylsulfanyl-3-methoxyphenyl)-3-phenylpropanamide;ethane
CID 156652623
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 154975964
(2R)-2-amino-3-(3-bromophenyl)-N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 117075904
N-[[3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662965
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
1-methyl-3-(1H-pyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47071993
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 118625559) is 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide is COc1cc(NC(=O)C(N)Cc2cccc(C(F)(F)F)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XZUISHZDSNKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-29-18-9-15(5-6-16(18)13-10-25-26-11-13)27-19(28)17(24)8-12-3-2-4-14(7-12)20(21,22)23/h2-7,9-11,17H,8,24H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 404.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 118625559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).