N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide

C15H18N4O4 — CID 87027283

IUPACN-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCCOc1cc(C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C15H18N4O4/c1-3-8-23-13-9-11(2)4-5-12(13)16-15(20)10-18-7-6-14(17-18)19(21)22/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)
InChIKeyMHAJAHMFUIDRFS-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.53
Rot. Bonds7

About N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 87027283) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID87027283
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCCOc1cc(C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C15H18N4O4/c1-3-8-23-13-9-11(2)4-5-12(13)16-15(20)10-18-7-6-14(17-18)19(21)22/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)
InChIKeyMHAJAHMFUIDRFS-UHFFFAOYSA-N
XLogP2.53
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
N-(4-methyl-2-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565838
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
1-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502099
methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19341551
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
N-(2-methyl-4-propoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 86822080

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 87027283) is N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide is CCCOc1cc(C)ccc1NC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is MHAJAHMFUIDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-3-8-23-13-9-11(2)4-5-12(13)16-15(20)10-18-7-6-14(17-18)19(21)22/h4-7,9H,3,8,10H2,1-2H3,(H,16,20).
What are the key properties of N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 318.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 87027283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).