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

C15H18ClN3O2S — CID 91629720

IUPAC1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C15H18ClN3O2S/c16-14-6-4-12(5-7-14)11-22(20,21)18-10-13-9-17-19-8-2-1-3-15(13)19/h4-7,9,18H,1-3,8,10-11H2
InChIKeyGGYBIGMZANQQBZ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.49
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 91629720) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
PubChem CID91629720
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C15H18ClN3O2S/c16-14-6-4-12(5-7-14)11-22(20,21)18-10-13-9-17-19-8-2-1-3-15(13)19/h4-7,9,18H,1-3,8,10-11H2
InChIKeyGGYBIGMZANQQBZ-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide (CID 91629720) is 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1cnn2c1CCCC2.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is GGYBIGMZANQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c16-14-6-4-12(5-7-14)11-22(20,21)18-10-13-9-17-19-8-2-1-3-15(13)19/h4-7,9,18H,1-3,8,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91629720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).