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

C11H14N6O3 — CID 703689

IUPAC1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C11H14N6O3/c1-6-9(7(2)15(3)14-6)13-11(18)10-8(17(19)20)5-12-16(10)4/h5H,1-4H3,(H,13,18)
InChIKeyJUWLDXSPAIBABX-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.93
Rot. Bonds3

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

1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 703689) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID703689
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C11H14N6O3/c1-6-9(7(2)15(3)14-6)13-11(18)10-8(17(19)20)5-12-16(10)4/h5H,1-4H3,(H,13,18)
InChIKeyJUWLDXSPAIBABX-UHFFFAOYSA-N
XLogP0.93
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.93
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
1H-Pyrazole-5-carboxamide, N-cycloheptyl-1-methyl-4-nitro-
CID 903073
3,5-dimethyl-1-[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]-1H-pyrazole
CID 1504305
(3,5-Dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
4-nitro-1,5-dimethyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844675
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
N-cyclohexyl-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084303
(1-methyl-4-nitro-1H-pyrazol-3-yl)(1H-pyrazol-1-yl)methanone
CID 674662
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone
CID 699655
N-cyclohexyl-2-methyl-4-nitropyrazole-3-carboxamide
CID 745365
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
(3,5-Dimethylpyrazol-1-yl)-(2-methyl-4-nitropyrazol-3-yl)methanone
CID 671872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 703689) is 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1c([N+](=O)[O-])cnn1C.
What is the InChIKey of 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is JUWLDXSPAIBABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-6-9(7(2)15(3)14-6)13-11(18)10-8(17(19)20)5-12-16(10)4/h5H,1-4H3,(H,13,18).
What are the key properties of 1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
1-methyl-4-nitro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 0.93, 3 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)pyrazole-5-carboxamide is sourced from PubChem (CID 703689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).