2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C13H10ClF3N4O4 — CID 1101541

IUPAC2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10ClF3N4O4/c1-7-11(14)12(21(23)24)19-20(7)6-10(22)18-8-2-4-9(5-3-8)25-13(15,16)17/h2-5H,6H2,1H3,(H,18,22)
InChIKeyOXKPIMBRDDALBY-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 1101541) has the molecular formula C13H10ClF3N4O4 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID1101541
Molecular FormulaC13H10ClF3N4O4
Molecular Weight378.69 g/mol
Exact Mass378.03
IUPAC Name2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10ClF3N4O4/c1-7-11(14)12(21(23)24)19-20(7)6-10(22)18-8-2-4-9(5-3-8)25-13(15,16)17/h2-5H,6H2,1H3,(H,18,22)
InChIKeyOXKPIMBRDDALBY-UHFFFAOYSA-N
XLogP3.29
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(trifluoromethoxy)phenyl]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

2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 1101540
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749101
1-(4-Methoxyphenyl)-3-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiourea
CID 4142700
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)acetamide
CID 1113750
2-(4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 757086
N-{4-[chloro(difluoro)methoxy]phenyl}-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-methylacetamide
CID 1507667
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1507668
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxyphenyl)-piperazin-1-yl]-ethanone
CID 21071096
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16000215
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46506012
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 749086
N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749088

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 1101541) is 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OXKPIMBRDDALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O4/c1-7-11(14)12(21(23)24)19-20(7)6-10(22)18-8-2-4-9(5-3-8)25-13(15,16)17/h2-5H,6H2,1H3,(H,18,22).
What are the key properties of 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 378.69 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 1101541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).