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

C16H17ClN4O2S — CID 23645575

IUPAC5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(Cl)nc12
InChIInChI=1S/C16H17ClN4O2S/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-11-4-6-12(7-5-11)24(3,22)23/h4-10,19H,1-3H3
InChIKeyZTOHZIOUXVDTOH-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.65
Rot. Bonds4

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

5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23645575) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID23645575
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(Cl)nc12
InChIInChI=1S/C16H17ClN4O2S/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-11-4-6-12(7-5-11)24(3,22)23/h4-10,19H,1-3H3
InChIKeyZTOHZIOUXVDTOH-UHFFFAOYSA-N
XLogP3.65
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 23645575) is 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(Cl)nc12.
What is the InChIKey of 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZTOHZIOUXVDTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-11-4-6-12(7-5-11)24(3,22)23/h4-10,19H,1-3H3.
What are the key properties of 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23645575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).