N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide

C16H18Cl2N4O2 — CID 60521050

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C16H18Cl2N4O2/c1-3-6-22(16(24)14-7-10(2)20-21-14)9-15(23)19-13-5-4-11(17)8-12(13)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyYNOCNZHSBNVAOJ-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 60521050) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID60521050
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C16H18Cl2N4O2/c1-3-6-22(16(24)14-7-10(2)20-21-14)9-15(23)19-13-5-4-11(17)8-12(13)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyYNOCNZHSBNVAOJ-UHFFFAOYSA-N
XLogP3.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide 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-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55787026
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
CID 55822669
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 60546451
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide (CID 60521050) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YNOCNZHSBNVAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-3-6-22(16(24)14-7-10(2)20-21-14)9-15(23)19-13-5-4-11(17)8-12(13)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60521050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).