2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide

C12H12N4O3 — CID 19578896

IUPAC2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-2-15-11(6-7-13-15)12(17)14-9-4-3-5-10(8-9)16(18)19/h3-8H,2H2,1H3,(H,14,17)
InChIKeyRDZLOGALQWPBEP-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.06
Rot. Bonds4

About 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide

2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19578896) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19578896
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-2-15-11(6-7-13-15)12(17)14-9-4-3-5-10(8-9)16(18)19/h3-8H,2H2,1H3,(H,14,17)
InChIKeyRDZLOGALQWPBEP-UHFFFAOYSA-N
XLogP2.06
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
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

2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698
2-ethyl-N-[3-[3-(4-nitropyrazol-1-yl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19555628
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480818
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
CID 19475346
4-bromo-1-ethyl-N-(3-nitrophenyl)pyrazole-5-carboxamide
CID 35522789
N-[3-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19529749
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
2-ethyl-N-[3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19461352
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19264997
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
CID 62166120

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide (CID 19578896) is 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is RDZLOGALQWPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-2-15-11(6-7-13-15)12(17)14-9-4-3-5-10(8-9)16(18)19/h3-8H,2H2,1H3,(H,14,17).
What are the key properties of 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide?
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19578896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).