5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H26N4O3S — CID 23645573

IUPAC5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)COc1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C20H26N4O3S/c1-13(2)12-27-19-10-18(24-20(23-19)17(11-21-24)14(3)4)22-15-6-8-16(9-7-15)28(5,25)26/h6-11,13-14,22H,12H2,1-5H3
InChIKeyLMWWKOWQEHLVFX-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.03
Rot. Bonds7

About 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23645573) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID23645573
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)COc1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C20H26N4O3S/c1-13(2)12-27-19-10-18(24-20(23-19)17(11-21-24)14(3)4)22-15-6-8-16(9-7-15)28(5,25)26/h6-11,13-14,22H,12H2,1-5H3
InChIKeyLMWWKOWQEHLVFX-UHFFFAOYSA-N
XLogP4.03
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 23645573) is 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)COc1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(C(C)C)c2n1.
What is the InChIKey of 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LMWWKOWQEHLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13(2)12-27-19-10-18(24-20(23-19)17(11-21-24)14(3)4)22-15-6-8-16(9-7-15)28(5,25)26/h6-11,13-14,22H,12H2,1-5H3.
What are the key properties of 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 402.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23645573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).