N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide

C18H17N3O3 — CID 177374356

IUPACN-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H17N3O3/c1-12-16(11-13-7-9-14(10-8-13)17(22)20-24)18(23)21(19-12)15-5-3-2-4-6-15/h2-10,19,24H,11H2,1H3,(H,20,22)
InChIKeyPTAIEFODBOPPQN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.18
Rot. Bonds4

About N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide

N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 177374356) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID177374356
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C18H17N3O3/c1-12-16(11-13-7-9-14(10-8-13)17(22)20-24)18(23)21(19-12)15-5-3-2-4-6-15/h2-10,19,24H,11H2,1H3,(H,20,22)
InChIKeyPTAIEFODBOPPQN-UHFFFAOYSA-N
XLogP2.18
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide (CID 177374356) is N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is PTAIEFODBOPPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-16(11-13-7-9-14(10-8-13)17(22)20-24)18(23)21(19-12)15-5-3-2-4-6-15/h2-10,19,24H,11H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide?
N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 177374356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).