N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide

C13H12Cl2N4O2 — CID 75445337

IUPACN-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)=O)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c1-7-4-10(13(21)17-6-12(16)20)18-19(7)11-3-2-8(14)5-9(11)15/h2-5H,6H2,1H3,(H2,16,20)(H,17,21)
InChIKeyDGJJLXXNTURONL-UHFFFAOYSA-N
MW327.17 g/mol
LogP1.70
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide

N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 75445337) 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)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide
PubChem CID75445337
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC NameN-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)=O)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N4O2/c1-7-4-10(13(21)17-6-12(16)20)18-19(7)11-3-2-8(14)5-9(11)15/h2-5H,6H2,1H3,(H2,16,20)(H,17,21)
InChIKeyDGJJLXXNTURONL-UHFFFAOYSA-N
XLogP1.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[[1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678700
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
CID 82419280
1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419272
3-[cyclopropyl-[1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535197
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
1-(2,4-dichlorophenyl)-N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-5-methylpyrazole-3-carboxamide
CID 167853509
2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 24748688
1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide
CID 167906921
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
7-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]heptanoic acid
CID 120524080
[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 166272767

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide (CID 75445337) is N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(N)=O)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is DGJJLXXNTURONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c1-7-4-10(13(21)17-6-12(16)20)18-19(7)11-3-2-8(14)5-9(11)15/h2-5H,6H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 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)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 75445337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).