N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide

C6H8N4O3 — CID 12773551

IUPACN-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-3-5(10(12)13)6(9-8-3)7-4(2)11/h1-2H3,(H2,7,8,9,11)
InChIKeyVAMFAOUBRMINQR-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.58
Rot. Bonds2

About N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide

N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide (PubChem CID 12773551) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide
PubChem CID12773551
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-3-5(10(12)13)6(9-8-3)7-4(2)11/h1-2H3,(H2,7,8,9,11)
InChIKeyVAMFAOUBRMINQR-UHFFFAOYSA-N
XLogP0.58
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.58
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-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide (CID 12773551) is N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide is CC(=O)Nc1n[nH]c(C)c1[N+](=O)[O-].
What is the InChIKey of N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide?
The InChIKey is VAMFAOUBRMINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3-5(10(12)13)6(9-8-3)7-4(2)11/h1-2H3,(H2,7,8,9,11).
What are the key properties of N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide?
N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide has a molecular weight of 184.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-nitro-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 12773551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).