N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide

C11H14N6O3 — CID 19264018

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1C
InChIInChI=1S/C11H14N6O3/c1-4-16-7(2)8(5-12-16)13-11(18)10-9(17(19)20)6-15(3)14-10/h5-6H,4H2,1-3H3,(H,13,18)
InChIKeyZDZHQZNWSDOBPP-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.11
Rot. Bonds4

About N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide

N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 19264018) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID19264018
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1C
InChIInChI=1S/C11H14N6O3/c1-4-16-7(2)8(5-12-16)13-11(18)10-9(17(19)20)6-15(3)14-10/h5-6H,4H2,1-3H3,(H,13,18)
InChIKeyZDZHQZNWSDOBPP-UHFFFAOYSA-N
XLogP1.11
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
N-(1-ethyl-5-methylpyrazol-4-yl)-3,5-dinitrobenzamide
CID 19394271
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605
4-bromo-N-(1-ethyl-5-methylpyrazol-4-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803416
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 4769593
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
1-methyl-4-nitro-N-propylpyrazole-3-carboxamide
CID 4592977
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
CID 844706
N-butyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 3945848

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide (CID 19264018) is N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide is CCn1ncc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is ZDZHQZNWSDOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-4-16-7(2)8(5-12-16)13-11(18)10-9(17(19)20)6-15(3)14-10/h5-6H,4H2,1-3H3,(H,13,18).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19264018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).