3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride

C15H18ClF3N4O — CID 119746103

IUPAC3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(19)8-14(23)20-9-11-2-4-12(5-3-11)22-7-6-13(21-22)15(16,17)18;/h2-7,10H,8-9,19H2,1H3,(H,20,23);1H
InChIKeyIWKMWNBMAHOWHZ-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.67
Rot. Bonds5

About 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride

3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride (PubChem CID 119746103) has the molecular formula C15H18ClF3N4O and a molecular weight of 362.78 g/mol. Its IUPAC name is 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
PubChem CID119746103
Molecular FormulaC15H18ClF3N4O
Molecular Weight362.78 g/mol
Exact Mass362.11
IUPAC Name3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.Cl
InChIInChI=1S/C15H17F3N4O.ClH/c1-10(19)8-14(23)20-9-11-2-4-12(5-3-11)22-7-6-13(21-22)15(16,17)18;/h2-7,10H,8-9,19H2,1H3,(H,20,23);1H
InChIKeyIWKMWNBMAHOWHZ-UHFFFAOYSA-N
XLogP2.67
TPSA72.94 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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride 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

4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746075
2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
CID 119746107
4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120625185
3-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiolane-3-carboxamide
CID 102553752
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pentan-2-ol
CID 111118842
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 136530222
2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 138994269
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride (CID 119746103) is 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
The InChIKey is IWKMWNBMAHOWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O.ClH/c1-10(19)8-14(23)20-9-11-2-4-12(5-3-11)22-7-6-13(21-22)15(16,17)18;/h2-7,10H,8-9,19H2,1H3,(H,20,23);1H.
What are the key properties of 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119746103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).