N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide

C16H20FN3O2 — CID 171646076

IUPACN-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)c(F)cc1O
InChIInChI=1S/C16H20FN3O2/c1-10-5-11(13(17)7-14(10)21)6-15(22)19-12-8-18-20(9-12)16(2,3)4/h5,7-9,21H,6H2,1-4H3,(H,19,22)
InChIKeySHZTZBUFOGRSKA-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.97
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide

N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide (PubChem CID 171646076) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide
PubChem CID171646076
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)c(F)cc1O
InChIInChI=1S/C16H20FN3O2/c1-10-5-11(13(17)7-14(10)21)6-15(22)19-12-8-18-20(9-12)16(2,3)4/h5,7-9,21H,6H2,1-4H3,(H,19,22)
InChIKeySHZTZBUFOGRSKA-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide (CID 171646076) is N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide is Cc1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)c(F)cc1O.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide?
The InChIKey is SHZTZBUFOGRSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-5-11(13(17)7-14(10)21)6-15(22)19-12-8-18-20(9-12)16(2,3)4/h5,7-9,21H,6H2,1-4H3,(H,19,22).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide?
N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 171646076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).