N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide

C14H15FN4O2S — CID 75478019

IUPACN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(C)n1cc(C#N)c(NS(=O)(=O)Cc2ccccc2F)n1
InChIInChI=1S/C14H15FN4O2S/c1-10(2)19-8-12(7-16)14(17-19)18-22(20,21)9-11-5-3-4-6-13(11)15/h3-6,8,10H,9H2,1-2H3,(H,17,18)
InChIKeyAWRDNRPUHMSSKN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.42
Rot. Bonds5

About N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide

N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 75478019) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide
PubChem CID75478019
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(C)n1cc(C#N)c(NS(=O)(=O)Cc2ccccc2F)n1
InChIInChI=1S/C14H15FN4O2S/c1-10(2)19-8-12(7-16)14(17-19)18-22(20,21)9-11-5-3-4-6-13(11)15/h3-6,8,10H,9H2,1-2H3,(H,17,18)
InChIKeyAWRDNRPUHMSSKN-UHFFFAOYSA-N
XLogP2.42
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide (CID 75478019) is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide is CC(C)n1cc(C#N)c(NS(=O)(=O)Cc2ccccc2F)n1.
What is the InChIKey of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is AWRDNRPUHMSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-10(2)19-8-12(7-16)14(17-19)18-22(20,21)9-11-5-3-4-6-13(11)15/h3-6,8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide?
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 322.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 75478019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).