3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

C18H22ClN5O2S — CID 46190037

IUPAC3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN5O2S/c1-11-15(10-23(4)5)12(2)24-18(21-11)16(17(20-3)22-24)27(25,26)14-8-6-7-13(19)9-14/h6-9H,10H2,1-5H3,(H,20,22)
InChIKeyAQJIPWNVOHSUOW-UHFFFAOYSA-N
MW407.93 g/mol
LogP2.94
Rot. Bonds5

About 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 46190037) has the molecular formula C18H22ClN5O2S and a molecular weight of 407.93 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID46190037
Molecular FormulaC18H22ClN5O2S
Molecular Weight407.93 g/mol
Exact Mass407.12
IUPAC Name3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN5O2S/c1-11-15(10-23(4)5)12(2)24-18(21-11)16(17(20-3)22-24)27(25,26)14-8-6-7-13(19)9-14/h6-9H,10H2,1-5H3,(H,20,22)
InChIKeyAQJIPWNVOHSUOW-UHFFFAOYSA-N
XLogP2.94
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.93
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 46190037) is 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is AQJIPWNVOHSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2S/c1-11-15(10-23(4)5)12(2)24-18(21-11)16(17(20-3)22-24)27(25,26)14-8-6-7-13(19)9-14/h6-9H,10H2,1-5H3,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-chlorophenyl)sulfonyl-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 407.93 g/mol, XLogP of 2.94, 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-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 46190037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).