N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide

C19H18FN3O2 — CID 17234016

IUPACN-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C19H18FN3O2/c1-12-5-4-6-15(18(12)25-3)19(24)21-17-11-16(22-23(17)2)13-7-9-14(20)10-8-13/h4-11H,1-3H3,(H,21,24)
InChIKeyPWHACUZMNYPQDX-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.80
Rot. Bonds4

About N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide

N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide (PubChem CID 17234016) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
PubChem CID17234016
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C19H18FN3O2/c1-12-5-4-6-15(18(12)25-3)19(24)21-17-11-16(22-23(17)2)13-7-9-14(20)10-8-13/h4-11H,1-3H3,(H,21,24)
InChIKeyPWHACUZMNYPQDX-UHFFFAOYSA-N
XLogP3.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide (CID 17234016) is N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)Nc1cc(-c2ccc(F)cc2)nn1C.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide?
The InChIKey is PWHACUZMNYPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-5-4-6-15(18(12)25-3)19(24)21-17-11-16(22-23(17)2)13-7-9-14(20)10-8-13/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide?
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 17234016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).