2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide

C12H9Cl4N3O — CID 5043331

IUPAC2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(NC(=O)C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C12H9Cl4N3O/c1-7-9(13)10(17-11(20)12(14,15)16)19(18-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,20)
InChIKeyLUUITEJXQGYIGZ-UHFFFAOYSA-N
MW353.04 g/mol
LogP4.14
Rot. Bonds2

About 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide

2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 5043331) has the molecular formula C12H9Cl4N3O and a molecular weight of 353.04 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID5043331
Molecular FormulaC12H9Cl4N3O
Molecular Weight353.04 g/mol
Exact Mass350.95
IUPAC Name2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(NC(=O)C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C12H9Cl4N3O/c1-7-9(13)10(17-11(20)12(14,15)16)19(18-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,20)
InChIKeyLUUITEJXQGYIGZ-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-chloro-3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamic acid
CID 118128874
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
CID 10833066
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 3748020
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775838
(Z)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enehydrazide
CID 10040556

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide (CID 5043331) is 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide is Cc1nn(-c2ccccc2)c(NC(=O)C(Cl)(Cl)Cl)c1Cl.
What is the InChIKey of 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is LUUITEJXQGYIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl4N3O/c1-7-9(13)10(17-11(20)12(14,15)16)19(18-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,20).
What are the key properties of 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide?
2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 353.04 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(4-chloro-3-methyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 5043331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).