3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine

C16H18FN5O2S — CID 91409298

IUPAC3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNCc1cc(C)nc2c(S(=O)(=O)c3cccc(F)c3)c(NC)nn12
InChIInChI=1S/C16H18FN5O2S/c1-10-7-12(9-18-2)22-16(20-10)14(15(19-3)21-22)25(23,24)13-6-4-5-11(17)8-13/h4-8,18H,9H2,1-3H3,(H,19,21)
InChIKeyIAASHTKSSCNLEW-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.77
Rot. Bonds5

About 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine

3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 91409298) has the molecular formula C16H18FN5O2S and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID91409298
Molecular FormulaC16H18FN5O2S
Molecular Weight363.42 g/mol
Exact Mass363.12
IUPAC Name3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNCc1cc(C)nc2c(S(=O)(=O)c3cccc(F)c3)c(NC)nn12
InChIInChI=1S/C16H18FN5O2S/c1-10-7-12(9-18-2)22-16(20-10)14(15(19-3)21-22)25(23,24)13-6-4-5-11(17)8-13/h4-8,18H,9H2,1-3H3,(H,19,21)
InChIKeyIAASHTKSSCNLEW-UHFFFAOYSA-N
XLogP1.77
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-fluorophenyl)sulfonyl-5-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 58357673
3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451722
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357643
6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 52918031
3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
CID 56849579
3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656
3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 58357655
[3-(3-chlorophenyl)sulfonyl-7-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 58357855
3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357783
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine;hydrochloride
CID 46189931

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 91409298) is 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine is CNCc1cc(C)nc2c(S(=O)(=O)c3cccc(F)c3)c(NC)nn12.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is IAASHTKSSCNLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2S/c1-10-7-12(9-18-2)22-16(20-10)14(15(19-3)21-22)25(23,24)13-6-4-5-11(17)8-13/h4-8,18H,9H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 363.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 91409298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).