N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

C12H10ClN5O5 — CID 19522188

IUPACN-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN5O5/c1-7-11(18(22)23)5-16(15-7)6-12(19)14-10-4-8(17(20)21)2-3-9(10)13/h2-5H,6H2,1H3,(H,14,19)
InChIKeyHHLJXKTXJBQMGK-UHFFFAOYSA-N
MW339.70 g/mol
LogP2.30
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19522188) has the molecular formula C12H10ClN5O5 and a molecular weight of 339.70 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19522188
Molecular FormulaC12H10ClN5O5
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN5O5/c1-7-11(18(22)23)5-16(15-7)6-12(19)14-10-4-8(17(20)21)2-3-9(10)13/h2-5H,6H2,1H3,(H,14,19)
InChIKeyHHLJXKTXJBQMGK-UHFFFAOYSA-N
XLogP2.30
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 52.30
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'}

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Related Compounds

N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
N-(2-chloro-5-nitrophenyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19549927
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522101
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522376
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (CID 19522188) is N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is HHLJXKTXJBQMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O5/c1-7-11(18(22)23)5-16(15-7)6-12(19)14-10-4-8(17(20)21)2-3-9(10)13/h2-5H,6H2,1H3,(H,14,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 339.70 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19522188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).