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

C17H22N4O5 — CID 15993542

IUPACN-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C17H22N4O5/c1-11-17(21(23)24)12(2)20(19-11)9-5-6-16(22)18-14-8-7-13(25-3)10-15(14)26-4/h7-8,10H,5-6,9H2,1-4H3,(H,18,22)
InChIKeyGJFNLINQOPATRS-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.84
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide (PubChem CID 15993542) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
PubChem CID15993542
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C17H22N4O5/c1-11-17(21(23)24)12(2)20(19-11)9-5-6-16(22)18-14-8-7-13(25-3)10-15(14)26-4/h7-8,10H,5-6,9H2,1-4H3,(H,18,22)
InChIKeyGJFNLINQOPATRS-UHFFFAOYSA-N
XLogP2.84
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.84
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-methoxyphenyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916214
N-(2-ethoxyphenyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 1504625
ethyl (3,5-dimethyl-4-{[(4-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
CID 1506995
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 9463533
N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749625
ethyl (3,5-dimethyl-4-{[(2-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
CID 1507427
1-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoyl]-4-(2-methoxyphenyl)piperazine
CID 2242318
N-(2,4-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 815379
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16000215
N-(5-chloro-2-methoxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 1508901
N-(2-methoxy-5-nitrophenyl)-2-methyl-4-nitropyrazole-3-carboxamide
CID 1730065
N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 2861328

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide (CID 15993542) is N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide is COc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
The InChIKey is GJFNLINQOPATRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-11-17(21(23)24)12(2)20(19-11)9-5-6-16(22)18-14-8-7-13(25-3)10-15(14)26-4/h7-8,10H,5-6,9H2,1-4H3,(H,18,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide?
N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide has a molecular weight of 362.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 15993542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).