N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide

C17H15FN4O2 — CID 71934124

IUPACN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccn1
InChIInChI=1S/C17H15FN4O2/c1-11-15(20-16(23)14-8-3-4-9-19-14)17(22(2)21-11)24-13-7-5-6-12(18)10-13/h3-10H,1-2H3,(H,20,23)
InChIKeyRAIABXGXXVBUJY-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.31
Rot. Bonds4

About N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 71934124) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID71934124
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccn1
InChIInChI=1S/C17H15FN4O2/c1-11-15(20-16(23)14-8-3-4-9-19-14)17(22(2)21-11)24-13-7-5-6-12(18)10-13/h3-10H,1-2H3,(H,20,23)
InChIKeyRAIABXGXXVBUJY-UHFFFAOYSA-N
XLogP3.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide (CID 71934124) is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide is Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccn1.
What is the InChIKey of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is RAIABXGXXVBUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-15(20-16(23)14-8-3-4-9-19-14)17(22(2)21-11)24-13-7-5-6-12(18)10-13/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide?
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71934124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).