N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H18FN3O2 — CID 47044043

IUPACN-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1F
InChIInChI=1S/C15H18FN3O2/c1-9-12(10(2)19(3)18-9)8-15(20)17-11-5-6-14(21-4)13(16)7-11/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyQPPQYHJPZQQFQF-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.37
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47044043) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47044043
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1F
InChIInChI=1S/C15H18FN3O2/c1-9-12(10(2)19(3)18-9)8-15(20)17-11-5-6-14(21-4)13(16)7-11/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyQPPQYHJPZQQFQF-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47044043) is N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is QPPQYHJPZQQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9-12(10(2)19(3)18-9)8-15(20)17-11-5-6-14(21-4)13(16)7-11/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47044043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).