3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C17H20ClN5O2S — CID 58357783

IUPAC3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(CN(C)C)nc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN5O2S/c1-11-8-13(10-22(3)4)20-17-15(16(19-2)21-23(11)17)26(24,25)14-7-5-6-12(18)9-14/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyRQFMTKLJDQWJSM-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.63
Rot. Bonds5

About 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 58357783) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID58357783
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(CN(C)C)nc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN5O2S/c1-11-8-13(10-22(3)4)20-17-15(16(19-2)21-23(11)17)26(24,25)14-7-5-6-12(18)9-14/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyRQFMTKLJDQWJSM-UHFFFAOYSA-N
XLogP2.63
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-chlorophenyl)sulfonyl-7-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 58357855
6-(aminomethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 46189984
6-(2-aminoethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189990
3-(3-chloro-4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326178
3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 91409298
3-(3-chloro-4-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451722
6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
[3-(3-fluorophenyl)sulfonyl-5-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 58357673
3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326176
2-[3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylethanamine
CID 46190594
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 52918031

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 58357783) is 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)cc(CN(C)C)nc2c1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RQFMTKLJDQWJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-11-8-13(10-22(3)4)20-17-15(16(19-2)21-23(11)17)26(24,25)14-7-5-6-12(18)9-14/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 393.90 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 58357783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).