N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

C14H16N4O5 — CID 167933784

IUPACN-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(OC)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O5/c1-4-23-11-6-5-9(22-3)7-10(11)15-14(19)12-13(18(20)21)8(2)16-17-12/h5-7H,4H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyNEXNVSCULTVHEA-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.29
Rot. Bonds6

About N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 167933784) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID167933784
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(OC)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O5/c1-4-23-11-6-5-9(22-3)7-10(11)15-14(19)12-13(18(20)21)8(2)16-17-12/h5-7H,4H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyNEXNVSCULTVHEA-UHFFFAOYSA-N
XLogP2.29
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
N-(2,5-diethoxyphenyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47847842
N-[5-cyano-2-(propylamino)phenyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 71863898
5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
CID 71850106
N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 35362555
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (CID 167933784) is N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is CCOc1ccc(OC)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is NEXNVSCULTVHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-4-23-11-6-5-9(22-3)7-10(11)15-14(19)12-13(18(20)21)8(2)16-17-12/h5-7H,4H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-methoxyphenyl)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167933784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).