2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride

C16H20ClF3N4O — CID 119680088

IUPAC2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H19F3N4O.ClH/c1-10(9-20-3)15(24)21-14-8-11(2)22-23(14)13-7-5-4-6-12(13)16(17,18)19;/h4-8,10,20H,9H2,1-3H3,(H,21,24);1H
InChIKeyQHSCBJIPFANOFS-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.42
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride (PubChem CID 119680088) has the molecular formula C16H20ClF3N4O and a molecular weight of 376.81 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride
PubChem CID119680088
Molecular FormulaC16H20ClF3N4O
Molecular Weight376.81 g/mol
Exact Mass376.13
IUPAC Name2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C16H19F3N4O.ClH/c1-10(9-20-3)15(24)21-14-8-11(2)22-23(14)13-7-5-4-6-12(13)16(17,18)19;/h4-8,10,20H,9H2,1-3H3,(H,21,24);1H
InChIKeyQHSCBJIPFANOFS-UHFFFAOYSA-N
XLogP3.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride (CID 119680088) is 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride?
The InChIKey is QHSCBJIPFANOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O.ClH/c1-10(9-20-3)15(24)21-14-8-11(2)22-23(14)13-7-5-4-6-12(13)16(17,18)19;/h4-8,10,20H,9H2,1-3H3,(H,21,24);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride has a molecular weight of 376.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119680088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).