N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide

C13H12Cl2N4O2 — CID 56819330

IUPACN-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H12Cl2N4O2/c1-18(7-12(16)20)13(21)8-5-17-19(6-8)11-3-2-9(14)4-10(11)15/h2-6H,7H2,1H3,(H2,16,20)
InChIKeyDHJKXSDQKPBJQX-UHFFFAOYSA-N
MW327.17 g/mol
LogP1.74
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide

N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 56819330) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
PubChem CID56819330
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC NameN-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H12Cl2N4O2/c1-18(7-12(16)20)13(21)8-5-17-19(6-8)11-3-2-9(14)4-10(11)15/h2-6H,7H2,1H3,(H2,16,20)
InChIKeyDHJKXSDQKPBJQX-UHFFFAOYSA-N
XLogP1.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-N-methylpyrazole-4-carboxamide
CID 110903813
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673
1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119826298
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 49160152
1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
CID 64782909
1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
CID 81166253
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546934

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide (CID 56819330) is N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide is CN(CC(N)=O)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is DHJKXSDQKPBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c1-18(7-12(16)20)13(21)8-5-17-19(6-8)11-3-2-9(14)4-10(11)15/h2-6H,7H2,1H3,(H2,16,20).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56819330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).