N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide

C12H12N4O3 — CID 677125

IUPACN-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
SMILESO=C(CC1=NNC(=O)C1)NN=Cc1ccccc1O
InChIInChI=1S/C12H12N4O3/c17-10-4-2-1-3-8(10)7-13-15-11(18)5-9-6-12(19)16-14-9/h1-4,7,17H,5-6H2,(H,15,18)(H,16,19)
InChIKeySKTDLCNQGSSHDC-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.11
Rot. Bonds4

About N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide

N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide (PubChem CID 677125) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
PubChem CID677125
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
SMILESO=C(CC1=NNC(=O)C1)NN=Cc1ccccc1O
InChIInChI=1S/C12H12N4O3/c17-10-4-2-1-3-8(10)7-13-15-11(18)5-9-6-12(19)16-14-9/h1-4,7,17H,5-6H2,(H,15,18)(H,16,19)
InChIKeySKTDLCNQGSSHDC-UHFFFAOYSA-N
XLogP0.11
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
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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Related Compounds

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 136904961
2-[2-[(Z)-[[2-(5-oxo-1,4-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6084449
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 3619395
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 677743
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 135699718
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 6163721
N-[(4-ethoxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
CID 4285512
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide (CID 677125) is N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is O=C(CC1=NNC(=O)C1)NN=Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The InChIKey is SKTDLCNQGSSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-10-4-2-1-3-8(10)7-13-15-11(18)5-9-6-12(19)16-14-9/h1-4,7,17H,5-6H2,(H,15,18)(H,16,19).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 677125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).