N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide

C18H16FN3O2 — CID 2352192

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-11-17(22(21-12)15-7-5-14(19)6-8-15)20-18(23)13-3-9-16(24-2)10-4-13/h3-11H,1-2H3,(H,20,23)
InChIKeyBTZUISJBAVVTDY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 2352192) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
PubChem CID2352192
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-11-17(22(21-12)15-7-5-14(19)6-8-15)20-18(23)13-3-9-16(24-2)10-4-13/h3-11H,1-2H3,(H,20,23)
InChIKeyBTZUISJBAVVTDY-UHFFFAOYSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 2352192) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is BTZUISJBAVVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-11-17(22(21-12)15-7-5-14(19)6-8-15)20-18(23)13-3-9-16(24-2)10-4-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 325.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 2352192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).