2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide

C17H12Cl2N4O3 — CID 11132930

IUPAC2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide
SMILESNC(=O)Cc1cn(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N4O3/c18-14-5-4-10(6-15(14)19)17-11(7-16(20)24)9-22(21-17)12-2-1-3-13(8-12)23(25)26/h1-6,8-9H,7H2,(H2,20,24)
InChIKeyKLXVONVSIMFSNA-UHFFFAOYSA-N
MW391.21 g/mol
LogP3.78
Rot. Bonds5

About 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide

2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide (PubChem CID 11132930) has the molecular formula C17H12Cl2N4O3 and a molecular weight of 391.21 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide
PubChem CID11132930
Molecular FormulaC17H12Cl2N4O3
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC Name2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide
SMILESNC(=O)Cc1cn(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N4O3/c18-14-5-4-10(6-15(14)19)17-11(7-16(20)24)9-22(21-17)12-2-1-3-13(8-12)23(25)26/h1-6,8-9H,7H2,(H2,20,24)
InChIKeyKLXVONVSIMFSNA-UHFFFAOYSA-N
XLogP3.78
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate
CID 2902690
N-(3-acetamidophenyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 34756945
N-[[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]methyl]ethanamine
CID 84615276
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
CID 11827067
2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 56543664
1-[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone
CID 135042738
4-bromo-1-(3-nitrophenyl)pyrazole-3-carboxylic acid
CID 116818685
4-(fluoromethyl)-3-(4-nitrophenyl)-1-phenylpyrazole
CID 122229636
3-methyl-1-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 43324378
N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 60959424
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 24610180

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide (CID 11132930) is 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide is NC(=O)Cc1cn(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide?
The InChIKey is KLXVONVSIMFSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3/c18-14-5-4-10(6-15(14)19)17-11(7-16(20)24)9-22(21-17)12-2-1-3-13(8-12)23(25)26/h1-6,8-9H,7H2,(H2,20,24).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide?
2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide has a molecular weight of 391.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 11132930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).