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

C12H11ClN4O4 — CID 824590

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H11ClN4O4/c1-7-4-11(17(20)21)15-16(7)6-12(19)14-9-5-8(13)2-3-10(9)18/h2-5,18H,6H2,1H3,(H,14,19)
InChIKeySSJMHOCZEAAHQU-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.10
Rot. Bonds4

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

N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 824590) has the molecular formula C12H11ClN4O4 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID824590
Molecular FormulaC12H11ClN4O4
Molecular Weight310.70 g/mol
Exact Mass310.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H11ClN4O4/c1-7-4-11(17(20)21)15-16(7)6-12(19)14-9-5-8(13)2-3-10(9)18/h2-5,18H,6H2,1H3,(H,14,19)
InChIKeySSJMHOCZEAAHQU-UHFFFAOYSA-N
XLogP2.10
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
CID 5054315
N-(5-Chloro-2-hydroxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-YL)acetamide
CID 749076
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 749086
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749111
N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 2237444
N-(5-chloro-2-methoxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 2239302
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 3106235
N-(5-chloro-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 5054320
N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 7311364
N-(5-chloro-2-methoxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 15993852
N-(5-chloro-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 15994704
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 16000720

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 824590) is N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is SSJMHOCZEAAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O4/c1-7-4-11(17(20)21)15-16(7)6-12(19)14-9-5-8(13)2-3-10(9)18/h2-5,18H,6H2,1H3,(H,14,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 310.70 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 824590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).