6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H16N4O3S — CID 1481811

IUPAC6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1
InChIInChI=1S/C19H16N4O3S/c1-26-14-9-7-13(8-10-14)16-11-22-23-18(20)17(12-21-19(16)23)27(24,25)15-5-3-2-4-6-15/h2-12H,20H2,1H3
InChIKeyCMFIWKCNIQMHCH-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.82
Rot. Bonds4

About 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1481811) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1481811
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1
InChIInChI=1S/C19H16N4O3S/c1-26-14-9-7-13(8-10-14)16-11-22-23-18(20)17(12-21-19(16)23)27(24,25)15-5-3-2-4-6-15/h2-12H,20H2,1H3
InChIKeyCMFIWKCNIQMHCH-UHFFFAOYSA-N
XLogP2.82
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 1481811) is 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1.
What is the InChIKey of 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CMFIWKCNIQMHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-26-14-9-7-13(8-10-14)16-11-22-23-18(20)17(12-21-19(16)23)27(24,25)15-5-3-2-4-6-15/h2-12H,20H2,1H3.
What are the key properties of 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 380.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1481811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).