N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide

C11H14N6O3 — CID 19277972

IUPACN,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O3/c1-14(6-8-4-5-15(2)12-8)11(18)10-9(17(19)20)7-16(3)13-10/h4-5,7H,6H2,1-3H3
InChIKeySKJVKBCVIODAMN-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.33
Rot. Bonds4

About N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide

N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide (PubChem CID 19277972) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide
PubChem CID19277972
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O3/c1-14(6-8-4-5-15(2)12-8)11(18)10-9(17(19)20)7-16(3)13-10/h4-5,7H,6H2,1-3H3
InChIKeySKJVKBCVIODAMN-UHFFFAOYSA-N
XLogP0.33
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
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-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 844685
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19452066
4-[methyl-(1-methyl-4-nitropyrazole-3-carbonyl)amino]butanoic acid
CID 120684493
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 4769593
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-4-nitropyrazole-3-carboxamide;1-methyl-4-nitropyrazole-3-carboxylic acid
CID 160736234
1-methyl-4-nitro-N-propylpyrazole-3-carboxamide
CID 4592977
N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19452093
N-methyl-3-[(3-methyl-4-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452133
2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
1-methyl-4-nitropyrazole-3-carbonyl chloride
CID 19619555

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide (CID 19277972) is N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide is CN(Cc1ccn(C)n1)C(=O)c1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide?
The InChIKey is SKJVKBCVIODAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-14(6-8-4-5-15(2)12-8)11(18)10-9(17(19)20)7-16(3)13-10/h4-5,7H,6H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide?
N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19277972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).