1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide

C12H11N5O5 — CID 19266528

IUPAC1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)Nc2ccccc2[N+](=O)[O-])nn1C
InChIInChI=1S/C12H11N5O5/c1-7-11(17(21)22)10(14-15(7)2)12(18)13-8-5-3-4-6-9(8)16(19)20/h3-6H,1-2H3,(H,13,18)
InChIKeyCJJXZGXMUBUTHE-UHFFFAOYSA-N
MW305.25 g/mol
LogP1.80
Rot. Bonds4

About 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide

1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19266528) has the molecular formula C12H11N5O5 and a molecular weight of 305.25 g/mol. Its IUPAC name is 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19266528
Molecular FormulaC12H11N5O5
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC Name1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)Nc2ccccc2[N+](=O)[O-])nn1C
InChIInChI=1S/C12H11N5O5/c1-7-11(17(21)22)10(14-15(7)2)12(18)13-8-5-3-4-6-9(8)16(19)20/h3-6H,1-2H3,(H,13,18)
InChIKeyCJJXZGXMUBUTHE-UHFFFAOYSA-N
XLogP1.80
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.80
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

1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266397
N-(1-benzyl-4-chloropyrazol-3-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266540
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19578055
3-bromo-5-methyl-N-(2-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464104
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
ethyl 1,3,5-trimethyl-4-[(2-nitrophenyl)carbamoyl]pyrrole-2-carboxylate
CID 43953979
N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 122157420
[1-(2-nitroanilino)-1-oxopropan-2-yl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 46696710
1,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide
CID 19284528
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19411125

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide (CID 19266528) is 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide is Cc1c([N+](=O)[O-])c(C(=O)Nc2ccccc2[N+](=O)[O-])nn1C.
What is the InChIKey of 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is CJJXZGXMUBUTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O5/c1-7-11(17(21)22)10(14-15(7)2)12(18)13-8-5-3-4-6-9(8)16(19)20/h3-6H,1-2H3,(H,13,18).
What are the key properties of 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide?
1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 305.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19266528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).