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

C18H16FN3O2 — CID 11198140

IUPAC3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide
SMILESCN(C)C(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H16FN3O2/c1-21(2)18(23)22-12-11-17(20-22)13-3-7-15(8-4-13)24-16-9-5-14(19)6-10-16/h3-12H,1-2H3
InChIKeyYNTRUANMLCUDBZ-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.01
Rot. Bonds3

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

3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide (PubChem CID 11198140) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide
PubChem CID11198140
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide
SMILESCN(C)C(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H16FN3O2/c1-21(2)18(23)22-12-11-17(20-22)13-3-7-15(8-4-13)24-16-9-5-14(19)6-10-16/h3-12H,1-2H3
InChIKeyYNTRUANMLCUDBZ-UHFFFAOYSA-N
XLogP4.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide (CID 11198140) is 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide is CN(C)C(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide?
The InChIKey is YNTRUANMLCUDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-21(2)18(23)22-12-11-17(20-22)13-3-7-15(8-4-13)24-16-9-5-14(19)6-10-16/h3-12H,1-2H3.
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide?
3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-N,N-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 11198140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).