1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide

C10H16N4O3 — CID 19476369

IUPAC1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)NCC(C)C
InChIInChI=1S/C10H16N4O3/c1-4-13-9(8(6-12-13)14(16)17)10(15)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyGIYUBILASCRJJA-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.20
Rot. Bonds5

About 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide

1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide (PubChem CID 19476369) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide
PubChem CID19476369
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)NCC(C)C
InChIInChI=1S/C10H16N4O3/c1-4-13-9(8(6-12-13)14(16)17)10(15)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyGIYUBILASCRJJA-UHFFFAOYSA-N
XLogP1.20
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.20
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

methyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]acetate
CID 19476462
N-[3-(dimethylamino)propyl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476403
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 1084310
1-ethyl-N-[(2-fluorophenyl)methyl]-4-nitropyrazole-5-carboxamide
CID 1224594
1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide
CID 51616577
1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
CID 51390208
1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19522625
1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
CID 19476569
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-4-nitropyrazole-5-carboxamide
CID 19476589
N-(4-tert-butylcyclohexyl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19575478
dimethyl 5-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19476349
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-5-carboxamide
CID 19507703

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide (CID 19476369) is 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide is CCn1ncc([N+](=O)[O-])c1C(=O)NCC(C)C.
What is the InChIKey of 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide?
The InChIKey is GIYUBILASCRJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-13-9(8(6-12-13)14(16)17)10(15)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,15).
What are the key properties of 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide?
1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19476369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).