4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide

C19H18FN3O2 — CID 162642917

IUPAC4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3c(F)cnn3C)cc2)cc1
InChIInChI=1S/C19H18FN3O2/c1-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)11-21-19(24)18-17(20)12-22-23(18)2/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyZEZMCWBYKHPPHA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.59
Rot. Bonds5

About 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide

4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 162642917) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID162642917
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3c(F)cnn3C)cc2)cc1
InChIInChI=1S/C19H18FN3O2/c1-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)11-21-19(24)18-17(20)12-22-23(18)2/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyZEZMCWBYKHPPHA-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 162642917) is 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide is Cc1ccc(Oc2ccc(CNC(=O)c3c(F)cnn3C)cc2)cc1.
What is the InChIKey of 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is ZEZMCWBYKHPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)11-21-19(24)18-17(20)12-22-23(18)2/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 162642917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).