N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

C14H16FN3O2 — CID 172631905

IUPACN-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1c(F)cc(C)cc1NC(=O)Cc1cnn(C)c1
InChIInChI=1S/C14H16FN3O2/c1-9-4-11(15)14(20-3)12(5-9)17-13(19)6-10-7-16-18(2)8-10/h4-5,7-8H,6H2,1-3H3,(H,17,19)
InChIKeyWPMAZWSWJZHSJR-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.06
Rot. Bonds4

About N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 172631905) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID172631905
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1c(F)cc(C)cc1NC(=O)Cc1cnn(C)c1
InChIInChI=1S/C14H16FN3O2/c1-9-4-11(15)14(20-3)12(5-9)17-13(19)6-10-7-16-18(2)8-10/h4-5,7-8H,6H2,1-3H3,(H,17,19)
InChIKeyWPMAZWSWJZHSJR-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 172631905) is N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is COc1c(F)cc(C)cc1NC(=O)Cc1cnn(C)c1.
What is the InChIKey of N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is WPMAZWSWJZHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-4-11(15)14(20-3)12(5-9)17-13(19)6-10-7-16-18(2)8-10/h4-5,7-8H,6H2,1-3H3,(H,17,19).
What are the key properties of N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 172631905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).