N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide

C15H10F2N4O2S — CID 123141951

IUPACN-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)c2ccc(F)c(F)c2)c1)c1ccccn1
InChIInChI=1S/C15H10F2N4O2S/c16-12-5-4-11(7-13(12)17)24(23)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)
InChIKeyWTGFBJDLMYLBFP-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide

N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 123141951) has the molecular formula C15H10F2N4O2S and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID123141951
Molecular FormulaC15H10F2N4O2S
Molecular Weight348.33 g/mol
Exact Mass348.05
IUPAC NameN-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)c2ccc(F)c(F)c2)c1)c1ccccn1
InChIInChI=1S/C15H10F2N4O2S/c16-12-5-4-11(7-13(12)17)24(23)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)
InChIKeyWTGFBJDLMYLBFP-UHFFFAOYSA-N
XLogP2.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide (CID 123141951) is N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(S(=O)c2ccc(F)c(F)c2)c1)c1ccccn1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WTGFBJDLMYLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O2S/c16-12-5-4-11(7-13(12)17)24(23)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22).
What are the key properties of N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)sulfinylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123141951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).