1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C12H16N6O3 — CID 19282125

IUPAC1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C12H16N6O3/c1-7-9(8(2)16(3)15-7)5-13-12(19)11-10(18(20)21)6-14-17(11)4/h6H,5H2,1-4H3,(H,13,19)
InChIKeyPAAZWGMUTWFCNV-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.61
Rot. Bonds4

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

1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19282125) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID19282125
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C12H16N6O3/c1-7-9(8(2)16(3)15-7)5-13-12(19)11-10(18(20)21)6-14-17(11)4/h6H,5H2,1-4H3,(H,13,19)
InChIKeyPAAZWGMUTWFCNV-UHFFFAOYSA-N
XLogP0.61
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.61
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-benzyl-1-methyl-4-nitropyrazole-5-carboxamide
CID 747520
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478486
2-hydroxy-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 86816344
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 79225452
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-methyl-4-nitropyrazole-5-carboxamide
CID 119055838
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19478535
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19282125) is 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1c([N+](=O)[O-])cnn1C.
What is the InChIKey of 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is PAAZWGMUTWFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-7-9(8(2)16(3)15-7)5-13-12(19)11-10(18(20)21)6-14-17(11)4/h6H,5H2,1-4H3,(H,13,19).
What are the key properties of 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19282125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).