N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

C18H16N4O3 — CID 724857

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H16N4O3/c23-16-6-5-15(17(24)10-16)11-19-21-18(25)14-4-1-3-13(9-14)12-22-8-2-7-20-22/h1-11,23-24H,12H2,(H,21,25)
InChIKeyDORISVPWJBFQKX-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.11
Rot. Bonds5

About N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 724857) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID724857
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H16N4O3/c23-16-6-5-15(17(24)10-16)11-19-21-18(25)14-4-1-3-13(9-14)12-22-8-2-7-20-22/h1-11,23-24H,12H2,(H,21,25)
InChIKeyDORISVPWJBFQKX-UHFFFAOYSA-N
XLogP2.11
TPSA99.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (CID 724857) is N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is O=C(NN=Cc1ccc(O)cc1O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is DORISVPWJBFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-16-6-5-15(17(24)10-16)11-19-21-18(25)14-4-1-3-13(9-14)12-22-8-2-7-20-22/h1-11,23-24H,12H2,(H,21,25).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 336.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 724857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).