1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide

C15H17F2N3O2S — CID 91816989

IUPAC1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCc1cnn2c1CCCC2
InChIInChI=1S/C15H17F2N3O2S/c16-13-4-5-14(17)11(7-13)10-23(21,22)19-9-12-8-18-20-6-2-1-3-15(12)20/h4-5,7-8,19H,1-3,6,9-10H2
InChIKeyZYZKLQTYIUKEFC-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide

1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 91816989) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
PubChem CID91816989
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCc1cnn2c1CCCC2
InChIInChI=1S/C15H17F2N3O2S/c16-13-4-5-14(17)11(7-13)10-23(21,22)19-9-12-8-18-20-6-2-1-3-15(12)20/h4-5,7-8,19H,1-3,6,9-10H2
InChIKeyZYZKLQTYIUKEFC-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide (CID 91816989) is 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCc1cnn2c1CCCC2.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is ZYZKLQTYIUKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c16-13-4-5-14(17)11(7-13)10-23(21,22)19-9-12-8-18-20-6-2-1-3-15(12)20/h4-5,7-8,19H,1-3,6,9-10H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91816989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).