1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide

C11H11N5O3 — CID 832033

IUPAC1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C11H11N5O3/c1-2-15-7-8(16(18)19)10(14-15)11(17)13-9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,12,13,17)
InChIKeyADKLFZZMULGDJR-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.46
Rot. Bonds4

About 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide

1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 832033) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID832033
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C11H11N5O3/c1-2-15-7-8(16(18)19)10(14-15)11(17)13-9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,12,13,17)
InChIKeyADKLFZZMULGDJR-UHFFFAOYSA-N
XLogP1.46
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.46
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

N-(1-benzylpyrazol-3-yl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 843698
1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide
CID 19263239
N-(3-bromophenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19580041
1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide
CID 19284480
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
1-ethyl-N-(2-fluoro-5-methylphenyl)-4-nitropyrazole-3-carboxamide
CID 841663
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19262963
N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263063
methyl 2-[[4-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19400609
1-ethyl-N,N-dimethyl-4-nitropyrazole-3-carboxamide
CID 163336271
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263174
1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide
CID 19400031

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide (CID 832033) is 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide is CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is ADKLFZZMULGDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-2-15-7-8(16(18)19)10(14-15)11(17)13-9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,12,13,17).
What are the key properties of 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide?
1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 832033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).