N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide

C10H12N6O3 — CID 831427

IUPACN-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3/c1-6-7(4-14(2)12-6)11-10(17)9-8(16(18)19)5-15(3)13-9/h4-5H,1-3H3,(H,11,17)
InChIKeyBCQZTRSEJXZJKY-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.62
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 831427) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID831427
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3/c1-6-7(4-14(2)12-6)11-10(17)9-8(16(18)19)5-15(3)13-9/h4-5H,1-3H3,(H,11,17)
InChIKeyBCQZTRSEJXZJKY-UHFFFAOYSA-N
XLogP0.62
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.62
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-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 1220992
(Hexahydro-1H-azepin-1-yl)(1-methyl-4-nitro-1H-pyrazol-5-yl)methanone
CID 824381
Azepan-1-yl-(1-ethyl-4-nitropyrazol-3-yl)methanone
CID 841601
1H-Pyrazole-5-carboxamide, N-cycloheptyl-1-methyl-4-nitro-
CID 903073
1-({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)azepane
CID 903178
N-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]glycine
CID 1204533
(3,5-Dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
N-cycloheptyl-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 903179
N-cyclooctyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 841499
4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide
CID 1000166
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
N-cyclohexyl-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084303

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide (CID 831427) is N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide is Cc1nn(C)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is BCQZTRSEJXZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-6-7(4-14(2)12-6)11-10(17)9-8(16(18)19)5-15(3)13-9/h4-5H,1-3H3,(H,11,17).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 831427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).