N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C17H21Cl2N3O — CID 55746193

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C17H21Cl2N3O/c1-10(2)7-13-9-16(21-20-13)17(23)22(4)11(3)14-6-5-12(18)8-15(14)19/h5-6,8-11H,7H2,1-4H3,(H,20,21)
InChIKeyZSYDYMFMGISKCA-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55746193) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55746193
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C17H21Cl2N3O/c1-10(2)7-13-9-16(21-20-13)17(23)22(4)11(3)14-6-5-12(18)8-15(14)19/h5-6,8-11H,7H2,1-4H3,(H,20,21)
InChIKeyZSYDYMFMGISKCA-UHFFFAOYSA-N
XLogP4.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 78861160
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 38550234
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55740396
5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 37493820
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55746193) is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZSYDYMFMGISKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O/c1-10(2)7-13-9-16(21-20-13)17(23)22(4)11(3)14-6-5-12(18)8-15(14)19/h5-6,8-11H,7H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 354.28 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55746193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).