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

C15H18N4O5 — CID 702239

IUPACN-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC
InChIInChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-11-5-6-12(23-3)13(7-11)24-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyGUOSQCZGYQTRIU-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.06
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 702239) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID702239
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC
InChIInChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-11-5-6-12(23-3)13(7-11)24-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyGUOSQCZGYQTRIU-UHFFFAOYSA-N
XLogP2.06
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.06
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
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 5296155
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 1101540
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
1H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-
CID 832016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 841484
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711707
N-(1,3-benzodioxol-5-yl)-4-nitro-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1225758
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749101
N-1,3-benzodioxol-5-yl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
CID 2981737
2-(2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}propanoyl)-N-(3-methoxyphenyl)hydrazinecarbothioamide
CID 4765844
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide
CID 12004814

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 702239) is N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is GUOSQCZGYQTRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-11-5-6-12(23-3)13(7-11)24-4/h5-7H,8H2,1-4H3,(H,16,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 334.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 702239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).