N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride

C17H23Cl3N4O — CID 119524492

IUPACN-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C17H22Cl2N4O.ClH/c1-10-13(8-16(24)21-17(3,4)9-20)11(2)23(22-10)12-5-6-14(18)15(19)7-12;/h5-7H,8-9,20H2,1-4H3,(H,21,24);1H
InChIKeyFSRMCCDYHBNSEZ-UHFFFAOYSA-N
MW405.76 g/mol
LogP3.61
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride (PubChem CID 119524492) has the molecular formula C17H23Cl3N4O and a molecular weight of 405.76 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
PubChem CID119524492
Molecular FormulaC17H23Cl3N4O
Molecular Weight405.76 g/mol
Exact Mass404.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C17H22Cl2N4O.ClH/c1-10-13(8-16(24)21-17(3,4)9-20)11(2)23(22-10)12-5-6-14(18)15(19)7-12;/h5-7H,8-9,20H2,1-4H3,(H,21,24);1H
InChIKeyFSRMCCDYHBNSEZ-UHFFFAOYSA-N
XLogP3.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpropanoate
CID 39459885
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225822
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119177582
methyl 3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-hydroxypropanoate
CID 75396405
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
4-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203821
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 38954829
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-methylbenzamide
CID 38965635
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 39040922
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 38977433

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride (CID 119524492) is N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is FSRMCCDYHBNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O.ClH/c1-10-13(8-16(24)21-17(3,4)9-20)11(2)23(22-10)12-5-6-14(18)15(19)7-12;/h5-7H,8-9,20H2,1-4H3,(H,21,24);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 405.76 g/mol, XLogP of 3.61, 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-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119524492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).