N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide

C18H17N3O2 — CID 71971436

IUPACN-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(O)ccc1NC(=O)Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c1-13-11-16(22)7-8-17(13)19-18(23)12-14-9-10-21(20-14)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H,19,23)
InChIKeyOIKCHKBEUGQFMA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.07
Rot. Bonds4

About N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide

N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 71971436) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide
PubChem CID71971436
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(O)ccc1NC(=O)Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c1-13-11-16(22)7-8-17(13)19-18(23)12-14-9-10-21(20-14)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H,19,23)
InChIKeyOIKCHKBEUGQFMA-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide (CID 71971436) is N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide is Cc1cc(O)ccc1NC(=O)Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is OIKCHKBEUGQFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-11-16(22)7-8-17(13)19-18(23)12-14-9-10-21(20-14)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H,19,23).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide?
N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-2-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71971436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).