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

C5H6N4O3 — CID 1255769

IUPACN-methyl-4-nitro-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H6N4O3/c1-6-5(10)4-3(9(11)12)2-7-8-4/h2H,1H3,(H,6,10)(H,7,8)
InChIKeyISNHIOFCZRFQMK-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.32
Rot. Bonds2

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

N-methyl-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 1255769) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is N-methyl-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID1255769
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC NameN-methyl-4-nitro-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H6N4O3/c1-6-5(10)4-3(9(11)12)2-7-8-4/h2H,1H3,(H,6,10)(H,7,8)
InChIKeyISNHIOFCZRFQMK-UHFFFAOYSA-N
XLogP-0.32
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-4-nitro-1H-pyrazole-5-carboxamide (CID 1255769) is N-methyl-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-4-nitro-1H-pyrazole-5-carboxamide is CNC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is ISNHIOFCZRFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-6-5(10)4-3(9(11)12)2-7-8-4/h2H,1H3,(H,6,10)(H,7,8).
What are the key properties of N-methyl-4-nitro-1H-pyrazole-5-carboxamide?
N-methyl-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 170.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1255769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).