N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride

C16H21Cl3N4O — CID 119608974

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.Cl
InChIInChI=1S/C16H20Cl2N4O.ClH/c1-10(2)16(3,9-19)21-15(23)11-7-20-22(8-11)14-5-4-12(17)6-13(14)18;/h4-8,10H,9,19H2,1-3H3,(H,21,23);1H
InChIKeyWUNGKBNGYSBTRW-UHFFFAOYSA-N
MW391.73 g/mol
LogP3.70
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119608974) has the molecular formula C16H21Cl3N4O and a molecular weight of 391.73 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119608974
Molecular FormulaC16H21Cl3N4O
Molecular Weight391.73 g/mol
Exact Mass390.08
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.Cl
InChIInChI=1S/C16H20Cl2N4O.ClH/c1-10(2)16(3,9-19)21-15(23)11-7-20-22(8-11)14-5-4-12(17)6-13(14)18;/h4-8,10H,9,19H2,1-3H3,(H,21,23);1H
InChIKeyWUNGKBNGYSBTRW-UHFFFAOYSA-N
XLogP3.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.73
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;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

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119599531
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
1-(2,4-dichlorophenyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]pyrazole-4-carboxamide
CID 86961111
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride (CID 119608974) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is WUNGKBNGYSBTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O.ClH/c1-10(2)16(3,9-19)21-15(23)11-7-20-22(8-11)14-5-4-12(17)6-13(14)18;/h4-8,10H,9,19H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 391.73 g/mol, XLogP of 3.70, 5 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)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119608974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).