N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide

C23H19FN4O3 — CID 91633981

IUPACN-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(OC)n1
InChIInChI=1S/C23H19FN4O3/c1-30-21-12-11-18(23(26-21)31-2)22(29)25-20-14-19(15-7-4-3-5-8-15)27-28(20)17-10-6-9-16(24)13-17/h3-14H,1-2H3,(H,25,29)
InChIKeyYWEJAXUEPLMNGO-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.34
Rot. Bonds6

About N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide

N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 91633981) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID91633981
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(OC)n1
InChIInChI=1S/C23H19FN4O3/c1-30-21-12-11-18(23(26-21)31-2)22(29)25-20-14-19(15-7-4-3-5-8-15)27-28(20)17-10-6-9-16(24)13-17/h3-14H,1-2H3,(H,25,29)
InChIKeyYWEJAXUEPLMNGO-UHFFFAOYSA-N
XLogP4.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide (CID 91633981) is N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c(OC)n1.
What is the InChIKey of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is YWEJAXUEPLMNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-30-21-12-11-18(23(26-21)31-2)22(29)25-20-14-19(15-7-4-3-5-8-15)27-28(20)17-10-6-9-16(24)13-17/h3-14H,1-2H3,(H,25,29).
What are the key properties of N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide?
N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 91633981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).