N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

C15H17ClN4O5 — CID 1101558

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl
InChIInChI=1S/C15H17ClN4O5/c1-8-15(20(22)23)9(2)19(18-8)7-14(21)17-11-6-12(24-3)10(16)5-13(11)25-4/h5-6H,7H2,1-4H3,(H,17,21)
InChIKeyDSUYDAHZKUHHQN-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.72
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 1101558) has the molecular formula C15H17ClN4O5 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID1101558
Molecular FormulaC15H17ClN4O5
Molecular Weight368.78 g/mol
Exact Mass368.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl
InChIInChI=1S/C15H17ClN4O5/c1-8-15(20(22)23)9(2)19(18-8)7-14(21)17-11-6-12(24-3)10(16)5-13(11)25-4/h5-6H,7H2,1-4H3,(H,17,21)
InChIKeyDSUYDAHZKUHHQN-UHFFFAOYSA-N
XLogP2.72
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.72
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-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1049537
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 24687034
N-(4-chloro-2,5-dimethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903295
N-(4-chloro-2,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129710
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 1101546
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 40142673
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749111
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1101539
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 4237343
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
CID 7311370
N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 15997083
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-4-nitropyrazol-5-ylthio)acetamide
CID 17253439

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 1101558) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is COc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is DSUYDAHZKUHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O5/c1-8-15(20(22)23)9(2)19(18-8)7-14(21)17-11-6-12(24-3)10(16)5-13(11)25-4/h5-6H,7H2,1-4H3,(H,17,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 368.78 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1101558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).