3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H20N4O2S — CID 10046047

IUPAC3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H20N4O2S/c1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3
InChIKeyANZCMKUIHMPREO-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.11
Rot. Bonds5

About 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10046047) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10046047
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H20N4O2S/c1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3
InChIKeyANZCMKUIHMPREO-UHFFFAOYSA-N
XLogP4.11
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 10046047) is 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ANZCMKUIHMPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-15-14-22-25-20(23-17-9-11-18(12-10-17)28(2,26)27)13-19(24-21(15)25)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3.
What are the key properties of 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 392.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10046047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).