2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride

C15H18ClF3N4O — CID 119748794

IUPAC2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(9-19-2)14(23)21-11-3-5-12(6-4-11)22-13(7-8-20-22)15(16,17)18;/h3-8,10,19H,9H2,1-2H3,(H,21,23);1H
InChIKeyHRPXTAGEPUSWLZ-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride (PubChem CID 119748794) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
PubChem CID119748794
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC Name2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(9-19-2)14(23)21-11-3-5-12(6-4-11)22-13(7-8-20-22)15(16,17)18;/h3-8,10,19H,9H2,1-2H3,(H,21,23);1H
InChIKeyHRPXTAGEPUSWLZ-UHFFFAOYSA-N
XLogP3.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303298
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
ethyl 1-[4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
CID 119731837
4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
CID 122077598
4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303302
(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120625531
2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
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N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
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N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
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2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride (CID 119748794) is 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride?
The InChIKey is HRPXTAGEPUSWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O.ClH/c1-10(9-19-2)14(23)21-11-3-5-12(6-4-11)22-13(7-8-20-22)15(16,17)18;/h3-8,10,19H,9H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 3.11, 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-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119748794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).