N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C18H16N4O2 — CID 135642333

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H16N4O2/c1-12-16(13-7-3-2-4-8-13)20-21-17(12)18(24)22-19-11-14-9-5-6-10-15(14)23/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-11+
InChIKeyUHBMRKOKYOZWNJ-YBFXNURJSA-N
MW320.35 g/mol
LogP2.85
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 135642333) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID135642333
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H16N4O2/c1-12-16(13-7-3-2-4-8-13)20-21-17(12)18(24)22-19-11-14-9-5-6-10-15(14)23/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-11+
InChIKeyUHBMRKOKYOZWNJ-YBFXNURJSA-N
XLogP2.85
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 135642333) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is UHBMRKOKYOZWNJ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-16(13-7-3-2-4-8-13)20-21-17(12)18(24)22-19-11-14-9-5-6-10-15(14)23/h2-11,23H,1H3,(H,20,21)(H,22,24)/b19-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135642333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).