N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide

C12H11ClN4O3 — CID 19526489

IUPACN-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C12H11ClN4O3/c1-8-5-14-16(6-8)7-12(18)15-11-4-9(17(19)20)2-3-10(11)13/h2-6H,7H2,1H3,(H,15,18)
InChIKeySPHLYLRAXMKQKK-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.39
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide

N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526489) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526489
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C12H11ClN4O3/c1-8-5-14-16(6-8)7-12(18)15-11-4-9(17(19)20)2-3-10(11)13/h2-6H,7H2,1H3,(H,15,18)
InChIKeySPHLYLRAXMKQKK-UHFFFAOYSA-N
XLogP2.39
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.39
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

N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522188
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841219
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569884
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
N-(2-chloro-5-nitrophenyl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19549927
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide (CID 19526489) is N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is SPHLYLRAXMKQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-8-5-14-16(6-8)7-12(18)15-11-4-9(17(19)20)2-3-10(11)13/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 294.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).