3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine

C16H17ClFN5O2S — CID 130451722

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNCc1cc(C)nc2c(S(=O)(=O)c3ccc(F)c(Cl)c3)c(NC)nn12
InChIInChI=1S/C16H17ClFN5O2S/c1-9-6-10(8-19-2)23-16(21-9)14(15(20-3)22-23)26(24,25)11-4-5-13(18)12(17)7-11/h4-7,19H,8H2,1-3H3,(H,20,22)
InChIKeyFCIGNUUZTZTZJC-UHFFFAOYSA-N
MW397.86 g/mol
LogP2.42
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine

3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451722) has the molecular formula C16H17ClFN5O2S and a molecular weight of 397.86 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID130451722
Molecular FormulaC16H17ClFN5O2S
Molecular Weight397.86 g/mol
Exact Mass397.08
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNCc1cc(C)nc2c(S(=O)(=O)c3ccc(F)c(Cl)c3)c(NC)nn12
InChIInChI=1S/C16H17ClFN5O2S/c1-9-6-10(8-19-2)23-16(21-9)14(15(20-3)22-23)26(24,25)11-4-5-13(18)12(17)7-11/h4-7,19H,8H2,1-3H3,(H,20,22)
InChIKeyFCIGNUUZTZTZJC-UHFFFAOYSA-N
XLogP2.42
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chloro-4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326178
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 91409298
[3-(3-fluorophenyl)sulfonyl-5-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 58357673
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-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357643
3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357783
3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
CID 56849579
[3-(3-chlorophenyl)sulfonyl-7-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 58357855
1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
CID 58357809
6-(2-aminoethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189990
3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 130451722) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine is CNCc1cc(C)nc2c(S(=O)(=O)c3ccc(F)c(Cl)c3)c(NC)nn12.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is FCIGNUUZTZTZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O2S/c1-9-6-10(8-19-2)23-16(21-9)14(15(20-3)22-23)26(24,25)11-4-5-13(18)12(17)7-11/h4-7,19H,8H2,1-3H3,(H,20,22).
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 397.86 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).