3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide

C17H14FN3O2 — CID 11738446

IUPAC3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide
SMILESCNC(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C17H14FN3O2/c1-19-17(22)21-11-10-16(20-21)12-2-6-14(7-3-12)23-15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,22)
InChIKeyMCEXGMWXKDKTNZ-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.67
Rot. Bonds3

About 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide

3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide (PubChem CID 11738446) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide
PubChem CID11738446
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide
SMILESCNC(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C17H14FN3O2/c1-19-17(22)21-11-10-16(20-21)12-2-6-14(7-3-12)23-15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,22)
InChIKeyMCEXGMWXKDKTNZ-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide (CID 11738446) is 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide is CNC(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide?
The InChIKey is MCEXGMWXKDKTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-19-17(22)21-11-10-16(20-21)12-2-6-14(7-3-12)23-15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,22).
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide?
3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-N-methylpyrazole-1-carboxamide is sourced from PubChem (CID 11738446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).