4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide

C18H16N4O2 — CID 657770

IUPAC4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c1-22-17(18(24)21-14-8-3-2-4-9-14)15(12-20-22)19-11-13-7-5-6-10-16(13)23/h2-12,23H,1H3,(H,21,24)/b19-11+
InChIKeyJGNRSHYEPOEDQE-YBFXNURJSA-N
MW320.35 g/mol
LogP3.13
Rot. Bonds4

About 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide

4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide (PubChem CID 657770) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide
PubChem CID657770
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c1-22-17(18(24)21-14-8-3-2-4-9-14)15(12-20-22)19-11-13-7-5-6-10-16(13)23/h2-12,23H,1H3,(H,21,24)/b19-11+
InChIKeyJGNRSHYEPOEDQE-YBFXNURJSA-N
XLogP3.13
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide (CID 657770) is 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide is Cn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1ccccc1.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide?
The InChIKey is JGNRSHYEPOEDQE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-17(18(24)21-14-8-3-2-4-9-14)15(12-20-22)19-11-13-7-5-6-10-16(13)23/h2-12,23H,1H3,(H,21,24)/b19-11+.
What are the key properties of 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide?
4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylideneamino]-1-methyl-N-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 657770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).