2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

C18H17Cl3N6O3 — CID 993943

IUPAC2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C
InChIInChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-13(19)5-4-6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28)
InChIKeyAEPGTTCHNOAXKY-UHFFFAOYSA-N
MW471.73 g/mol
LogP4.56
Rot. Bonds6

About 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide

2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 993943) has the molecular formula C18H17Cl3N6O3 and a molecular weight of 471.73 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID993943
Molecular FormulaC18H17Cl3N6O3
Molecular Weight471.73 g/mol
Exact Mass470.04
IUPAC Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C
InChIInChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-13(19)5-4-6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28)
InChIKeyAEPGTTCHNOAXKY-UHFFFAOYSA-N
XLogP4.56
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.73
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide 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

CID 749085
CID 749085
CID 16003819
CID 16003819
CID 993737
CID 993737
CID 5195616
CID 5195616
CID 2234443
CID 2234443
CID 2236682
CID 2236682
CID 2432079
CID 2432079
CID 12004768
CID 12004768
CID 12004774
CID 12004774
CID 12004784
CID 12004784
CID 12004787
CID 12004787
CID 12004987
CID 12004987

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide (CID 993943) is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is AEPGTTCHNOAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-13(19)5-4-6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28).
What are the key properties of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide?
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 471.73 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).