N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride

C18H28Cl2N4O — CID 119529693

IUPACN-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NCC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H26N4O.2ClH/c1-12(10-16-13(2)21-22(4)14(16)3)18(23)20-11-17(19)15-8-6-5-7-9-15;;/h5-9,12,17H,10-11,19H2,1-4H3,(H,20,23);2*1H
InChIKeyMIDJFDBDUYAYNE-UHFFFAOYSA-N
MW387.36 g/mol
LogP2.88
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride

N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride (PubChem CID 119529693) has the molecular formula C18H28Cl2N4O and a molecular weight of 387.36 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
PubChem CID119529693
Molecular FormulaC18H28Cl2N4O
Molecular Weight387.36 g/mol
Exact Mass386.16
IUPAC NameN-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NCC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H26N4O.2ClH/c1-12(10-16-13(2)21-22(4)14(16)3)18(23)20-11-17(19)15-8-6-5-7-9-15;;/h5-9,12,17H,10-11,19H2,1-4H3,(H,20,23);2*1H
InChIKeyMIDJFDBDUYAYNE-UHFFFAOYSA-N
XLogP2.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride 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-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
N-(2-aminoethyl)-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]benzamide;dihydrochloride
CID 120603325
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231075
(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065144
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride (CID 119529693) is N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride is Cc1nn(C)c(C)c1CC(C)C(=O)NCC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The InChIKey is MIDJFDBDUYAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.2ClH/c1-12(10-16-13(2)21-22(4)14(16)3)18(23)20-11-17(19)15-8-6-5-7-9-15;;/h5-9,12,17H,10-11,19H2,1-4H3,(H,20,23);2*1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride has a molecular weight of 387.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119529693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).