2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide

C17H17N5O3 — CID 19516039

IUPAC2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H17N5O3/c1-13(14-5-4-6-15(9-14)20-7-2-3-8-20)19-17(23)12-21-11-16(10-18-21)22(24)25/h2-11,13H,12H2,1H3,(H,19,23)
InChIKeyIYDOZKAHYYCVNC-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide

2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide (PubChem CID 19516039) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
PubChem CID19516039
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H17N5O3/c1-13(14-5-4-6-15(9-14)20-7-2-3-8-20)19-17(23)12-21-11-16(10-18-21)22(24)25/h2-11,13H,12H2,1H3,(H,19,23)
InChIKeyIYDOZKAHYYCVNC-UHFFFAOYSA-N
XLogP2.46
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.46
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'}

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Related Compounds

3-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19558171
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-[(2S)-3-methyl-2-phenylbutyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35015141
methyl 2-[3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]propanoate
CID 126815110
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95316294
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 126827824
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
4-[(3-nitropyrazol-1-yl)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19496745
3-[(4-nitrophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzamide
CID 4865410
N-[1-(4-chlorophenyl)ethyl]-4-(4-nitropyrazol-1-yl)butanamide
CID 178068162

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide (CID 19516039) is 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide is CC(NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2cccc2)c1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
The InChIKey is IYDOZKAHYYCVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-13(14-5-4-6-15(9-14)20-7-2-3-8-20)19-17(23)12-21-11-16(10-18-21)22(24)25/h2-11,13H,12H2,1H3,(H,19,23).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 19516039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).