6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C18H16N4OS — CID 1481773

IUPAC6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nc3c(-c4ccsc4)cnn3c2N)cc1
InChIInChI=1S/C18H16N4OS/c1-11-16(12-3-5-14(23-2)6-4-12)17(19)22-18(21-11)15(9-20-22)13-7-8-24-10-13/h3-10H,19H2,1-2H3
InChIKeyLSIPSBSVYAELHE-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.02
Rot. Bonds3

About 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1481773) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1481773
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nc3c(-c4ccsc4)cnn3c2N)cc1
InChIInChI=1S/C18H16N4OS/c1-11-16(12-3-5-14(23-2)6-4-12)17(19)22-18(21-11)15(9-20-22)13-7-8-24-10-13/h3-10H,19H2,1-2H3
InChIKeyLSIPSBSVYAELHE-UHFFFAOYSA-N
XLogP4.02
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1481773) is 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nc3c(-c4ccsc4)cnn3c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LSIPSBSVYAELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-16(12-3-5-14(23-2)6-4-12)17(19)22-18(21-11)15(9-20-22)13-7-8-24-10-13/h3-10H,19H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1481773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).