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

C7H10N4O3 — CID 23273878

IUPACN-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-3-8-7(12)5-6(11(13)14)4(2)9-10-5/h3H2,1-2H3,(H,8,12)(H,9,10)
InChIKeyGSFYBIXRNVUQFC-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.38
Rot. Bonds3

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

N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 23273878) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID23273878
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-3-8-7(12)5-6(11(13)14)4(2)9-10-5/h3H2,1-2H3,(H,8,12)(H,9,10)
InChIKeyGSFYBIXRNVUQFC-UHFFFAOYSA-N
XLogP0.38
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.38
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-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (CID 23273878) is N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is CCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is GSFYBIXRNVUQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-8-7(12)5-6(11(13)14)4(2)9-10-5/h3H2,1-2H3,(H,8,12)(H,9,10).
What are the key properties of N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 198.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 23273878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).