5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide

C9H10N6O3 — CID 71850106

IUPAC5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])[nH]1
InChIInChI=1S/C9H10N6O3/c1-4-3-10-9(11-4)12-8(16)6-7(15(17)18)5(2)13-14-6/h3H,1-2H3,(H,13,14)(H2,10,11,12,16)
InChIKeyNYZVGWLKLPVRTR-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.91
Rot. Bonds3

About 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide

5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 71850106) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID71850106
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])[nH]1
InChIInChI=1S/C9H10N6O3/c1-4-3-10-9(11-4)12-8(16)6-7(15(17)18)5(2)13-14-6/h3H,1-2H3,(H,13,14)(H2,10,11,12,16)
InChIKeyNYZVGWLKLPVRTR-UHFFFAOYSA-N
XLogP0.91
TPSA129.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide (CID 71850106) is 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide is Cc1cnc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])[nH]1.
What is the InChIKey of 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is NYZVGWLKLPVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c1-4-3-10-9(11-4)12-8(16)6-7(15(17)18)5(2)13-14-6/h3H,1-2H3,(H,13,14)(H2,10,11,12,16).
What are the key properties of 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide?
5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1H-imidazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71850106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).