N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride

C13H26Cl2N4O — CID 119608019

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-10(2)13(3,9-14)16-12(18)6-5-11-7-15-17(4)8-11;;/h7-8,10H,5-6,9,14H2,1-4H3,(H,16,18);2*1H
InChIKeyLJRWNEIRRRVNAD-UHFFFAOYSA-N
MW325.28 g/mol
LogP1.69
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride (PubChem CID 119608019) has the molecular formula C13H26Cl2N4O and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
PubChem CID119608019
Molecular FormulaC13H26Cl2N4O
Molecular Weight325.28 g/mol
Exact Mass324.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-10(2)13(3,9-14)16-12(18)6-5-11-7-15-17(4)8-11;;/h7-8,10H,5-6,9,14H2,1-4H3,(H,16,18);2*1H
InChIKeyLJRWNEIRRRVNAD-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-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

2-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119199294
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103023754
5-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-one
CID 103024107
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119572498
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride (CID 119608019) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)CCc1cnn(C)c1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
The InChIKey is LJRWNEIRRRVNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.2ClH/c1-10(2)13(3,9-14)16-12(18)6-5-11-7-15-17(4)8-11;;/h7-8,10H,5-6,9,14H2,1-4H3,(H,16,18);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119608019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).