1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide

C15H20FN3O2S — CID 46972220

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2S/c1-11-15(12(2)19(4)17-11)9-18(3)22(20,21)10-13-5-7-14(16)8-6-13/h5-8H,9-10H2,1-4H3
InChIKeyDGJCYVVXSFTZOD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 46972220) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID46972220
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2S/c1-11-15(12(2)19(4)17-11)9-18(3)22(20,21)10-13-5-7-14(16)8-6-13/h5-8H,9-10H2,1-4H3
InChIKeyDGJCYVVXSFTZOD-UHFFFAOYSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide (CID 46972220) is 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is DGJCYVVXSFTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-11-15(12(2)19(4)17-11)9-18(3)22(20,21)10-13-5-7-14(16)8-6-13/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 46972220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).