N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine

C11H10N4O2 — CID 904093

IUPACN-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine
SMILESCc1[nH]ncc1/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O2/c1-8-11(7-13-14-8)12-6-9-2-4-10(5-3-9)15(16)17/h2-7H,1H3,(H,13,14)/b12-6+
InChIKeyNHWMLYBXNNEKQZ-WUXMJOGZSA-N
MW230.23 g/mol
LogP2.38
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine

N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine (PubChem CID 904093) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine
PubChem CID904093
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine
SMILESCc1[nH]ncc1/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O2/c1-8-11(7-13-14-8)12-6-9-2-4-10(5-3-9)15(16)17/h2-7H,1H3,(H,13,14)/b12-6+
InChIKeyNHWMLYBXNNEKQZ-WUXMJOGZSA-N
XLogP2.38
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine (CID 904093) is N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine is Cc1[nH]ncc1/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine?
The InChIKey is NHWMLYBXNNEKQZ-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-8-11(7-13-14-8)12-6-9-2-4-10(5-3-9)15(16)17/h2-7H,1H3,(H,13,14)/b12-6+.
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine?
N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine has a molecular weight of 230.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 904093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).