5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C15H16FN5O2S — CID 58357790

IUPAC5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN5O2S/c1-9-7-11(8-17)19-15-13(14(18-2)20-21(9)15)24(22,23)12-5-3-10(16)4-6-12/h3-7H,8,17H2,1-2H3,(H,18,20)
InChIKeyLIPUSJUGQVTLNH-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.51
Rot. Bonds4

About 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 58357790) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID58357790
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC Name5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FN5O2S/c1-9-7-11(8-17)19-15-13(14(18-2)20-21(9)15)24(22,23)12-5-3-10(16)4-6-12/h3-7H,8,17H2,1-2H3,(H,18,20)
InChIKeyLIPUSJUGQVTLNH-UHFFFAOYSA-N
XLogP1.51
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 58357790) is 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LIPUSJUGQVTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-9-7-11(8-17)19-15-13(14(18-2)20-21(9)15)24(22,23)12-5-3-10(16)4-6-12/h3-7H,8,17H2,1-2H3,(H,18,20).
What are the key properties of 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 349.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(4-fluorophenyl)sulfonyl-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 58357790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).