N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide

C11H14N6O3 — CID 19515238

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
SMILESCCn1ccc(CN(C)C(=O)c2[nH]ncc2[N+](=O)[O-])n1
InChIInChI=1S/C11H14N6O3/c1-3-16-5-4-8(14-16)7-15(2)11(18)10-9(17(19)20)6-12-13-10/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyARSJVFARCRTLFH-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.81
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19515238) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19515238
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
SMILESCCn1ccc(CN(C)C(=O)c2[nH]ncc2[N+](=O)[O-])n1
InChIInChI=1S/C11H14N6O3/c1-3-16-5-4-8(14-16)7-15(2)11(18)10-9(17(19)20)6-12-13-10/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyARSJVFARCRTLFH-UHFFFAOYSA-N
XLogP0.81
TPSA109.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.81
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-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 19449830
N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19540165
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19531270
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531246
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide
CID 19277972
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531252
1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
CID 19398313
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803693
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
4,5-dibromo-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19449890

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide (CID 19515238) is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide is CCn1ccc(CN(C)C(=O)c2[nH]ncc2[N+](=O)[O-])n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is ARSJVFARCRTLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-3-16-5-4-8(14-16)7-15(2)11(18)10-9(17(19)20)6-12-13-10/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).