N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide

C11H10N4O4 — CID 19474754

IUPACN-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cn1
InChIInChI=1S/C11H10N4O4/c1-14-6-7(5-12-14)11(17)13-9-3-2-8(15(18)19)4-10(9)16/h2-6,16H,1H3,(H,13,17)
InChIKeyAPQFOPFWAJTEBN-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.29
Rot. Bonds3

About N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide

N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 19474754) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID19474754
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cn1
InChIInChI=1S/C11H10N4O4/c1-14-6-7(5-12-14)11(17)13-9-3-2-8(15(18)19)4-10(9)16/h2-6,16H,1H3,(H,13,17)
InChIKeyAPQFOPFWAJTEBN-UHFFFAOYSA-N
XLogP1.29
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide (CID 19474754) is N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cn1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is APQFOPFWAJTEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-14-6-7(5-12-14)11(17)13-9-3-2-8(15(18)19)4-10(9)16/h2-6,16H,1H3,(H,13,17).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).