N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

C15H18N4O4 — CID 19539774

IUPACN-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C15H18N4O4/c1-10-4-5-14(23-3)12(8-10)16-15(20)6-7-18-9-13(19(21)22)11(2)17-18/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)
InChIKeyIPCHPFDSUCMQEI-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.45
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19539774) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19539774
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C15H18N4O4/c1-10-4-5-14(23-3)12(8-10)16-15(20)6-7-18-9-13(19(21)22)11(2)17-18/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)
InChIKeyIPCHPFDSUCMQEI-UHFFFAOYSA-N
XLogP2.45
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.45
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-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide 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-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522251
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
3-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19544002
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
N-(2-methoxy-5-methylphenyl)-2-nitroacetamide
CID 21322087
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 19518329
N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555752

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19539774) is N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is COc1ccc(C)cc1NC(=O)CCn1cc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is IPCHPFDSUCMQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10-4-5-14(23-3)12(8-10)16-15(20)6-7-18-9-13(19(21)22)11(2)17-18/h4-5,8-9H,6-7H2,1-3H3,(H,16,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 318.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).