3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide

C20H20N4O4 — CID 47089412

IUPAC3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C20H20N4O4/c1-2-28-18-9-4-3-6-14(18)10-11-20(25)21-19-13-17(22-23-19)15-7-5-8-16(12-15)24(26)27/h3-9,12-13H,2,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyYZSIJFXZYDMBTP-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.95
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide

3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 47089412) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide
PubChem CID47089412
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C20H20N4O4/c1-2-28-18-9-4-3-6-14(18)10-11-20(25)21-19-13-17(22-23-19)15-7-5-8-16(12-15)24(26)27/h3-9,12-13H,2,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyYZSIJFXZYDMBTP-UHFFFAOYSA-N
XLogP3.95
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
CID 71934897
4-(2-ethoxyphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 2525275
(2S,4S)-2-methyl-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxamide
CID 120634843
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
benzyl 3-[[5-(3-nitrophenyl)-1H-pyrazol-3-yl]carbamoylamino]benzoate
CID 166264327
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
(2R,4R)-2-ethyl-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
CID 99782280
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32990930
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide (CID 47089412) is 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide is CCOc1ccccc1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is YZSIJFXZYDMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-28-18-9-4-3-6-14(18)10-11-20(25)21-19-13-17(22-23-19)15-7-5-8-16(12-15)24(26)27/h3-9,12-13H,2,10-11H2,1H3,(H2,21,22,23,25).
What are the key properties of 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide?
3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 380.40 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 47089412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).