2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride

C18H24ClF3N4O — CID 119305736

IUPAC2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F.Cl
InChIInChI=1S/C18H23F3N4O.ClH/c1-4-5-16(22)17(26)23-10-13-6-7-14(9-15(13)18(19,20)21)25-12(3)8-11(2)24-25;/h6-9,16H,4-5,10,22H2,1-3H3,(H,23,26);1H
InChIKeyXDVPLLMJTIVZOS-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.67
Rot. Bonds6

About 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride

2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119305736) has the molecular formula C18H24ClF3N4O and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119305736
Molecular FormulaC18H24ClF3N4O
Molecular Weight404.86 g/mol
Exact Mass404.16
IUPAC Name2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F.Cl
InChIInChI=1S/C18H23F3N4O.ClH/c1-4-5-16(22)17(26)23-10-13-6-7-14(9-15(13)18(19,20)21)25-12(3)8-11(2)24-25;/h6-9,16H,4-5,10,22H2,1-3H3,(H,23,26);1H
InChIKeyXDVPLLMJTIVZOS-UHFFFAOYSA-N
XLogP3.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 119752936
1-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine
CID 110918505
2-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182599
2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 119315081
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide
CID 155964422
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119752914
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
(2S)-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 95226779
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60589505
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-2-methyl-5-nitrobenzamide
CID 60595469
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119752904
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride (CID 119305736) is 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F.Cl.
What is the InChIKey of 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is XDVPLLMJTIVZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O.ClH/c1-4-5-16(22)17(26)23-10-13-6-7-14(9-15(13)18(19,20)21)25-12(3)8-11(2)24-25;/h6-9,16H,4-5,10,22H2,1-3H3,(H,23,26);1H.
What are the key properties of 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride?
2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 404.86 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119305736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).