N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

C11H10N4O4 — CID 703254

IUPACN-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O4/c1-19-8-4-2-7(3-5-8)13-11(16)10-9(15(17)18)6-12-14-10/h2-6H,1H3,(H,12,14)(H,13,16)
InChIKeyAQIDIQYNSPJQPM-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.58
Rot. Bonds4

About N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 703254) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID703254
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC NameN-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O4/c1-19-8-4-2-7(3-5-8)13-11(16)10-9(15(17)18)6-12-14-10/h2-6H,1H3,(H,12,14)(H,13,16)
InChIKeyAQIDIQYNSPJQPM-UHFFFAOYSA-N
XLogP1.58
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
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 N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 703254) is N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is AQIDIQYNSPJQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-19-8-4-2-7(3-5-8)13-11(16)10-9(15(17)18)6-12-14-10/h2-6H,1H3,(H,12,14)(H,13,16).
What are the key properties of N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 703254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).