N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

C12H12N4O2 — CID 135635668

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C/c2ccccc2O)n1
InChIInChI=1S/C12H12N4O2/c1-16-7-6-10(15-16)12(18)14-13-8-9-4-2-3-5-11(9)17/h2-8,17H,1H3,(H,14,18)/b13-8+
InChIKeyVKMYHHHHXIUGGU-MDWZMJQESA-N
MW244.25 g/mol
LogP0.89
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 135635668) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID135635668
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C/c2ccccc2O)n1
InChIInChI=1S/C12H12N4O2/c1-16-7-6-10(15-16)12(18)14-13-8-9-4-2-3-5-11(9)17/h2-8,17H,1H3,(H,14,18)/b13-8+
InChIKeyVKMYHHHHXIUGGU-MDWZMJQESA-N
XLogP0.89
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 135635668) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N/N=C/c2ccccc2O)n1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is VKMYHHHHXIUGGU-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-7-6-10(15-16)12(18)14-13-8-9-4-2-3-5-11(9)17/h2-8,17H,1H3,(H,14,18)/b13-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135635668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).