N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

C5H6N4O4 — CID 5031492

IUPACN-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NO)c1[N+](=O)[O-]
InChIInChI=1S/C5H6N4O4/c1-2-4(9(12)13)3(7-6-2)5(10)8-11/h11H,1H3,(H,6,7)(H,8,10)
InChIKeyAJOIZMUMCZFZBZ-UHFFFAOYSA-N
MW186.13 g/mol
LogP-0.25
Rot. Bonds2

About N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 5031492) has the molecular formula C5H6N4O4 and a molecular weight of 186.13 g/mol. Its IUPAC name is N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID5031492
Molecular FormulaC5H6N4O4
Molecular Weight186.13 g/mol
Exact Mass186.04
IUPAC NameN-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NO)c1[N+](=O)[O-]
InChIInChI=1S/C5H6N4O4/c1-2-4(9(12)13)3(7-6-2)5(10)8-11/h11H,1H3,(H,6,7)(H,8,10)
InChIKeyAJOIZMUMCZFZBZ-UHFFFAOYSA-N
XLogP-0.25
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (CID 5031492) is N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NO)c1[N+](=O)[O-].
What is the InChIKey of N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is AJOIZMUMCZFZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O4/c1-2-4(9(12)13)3(7-6-2)5(10)8-11/h11H,1H3,(H,6,7)(H,8,10).
What are the key properties of N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 186.13 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5031492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).