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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Related Compounds

1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446
4-(2-{3-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329448
6-(4-Methoxyphenyl)-3-(3-thienyl)-pyrazolo(1,5-a)pyrimidine
CID 5329468
Dimethyl(3-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}propyl)amine
CID 5329449
Benzyl(2-methoxyethyl)(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)amine
CID 5329451
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
2-(4-Methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754802
10-(4-methoxy-2-methylphenyl)-11-methyl-N-pentan-3-yl-5-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10178898
10-(4-methoxy-2-methylphenyl)-11-methyl-N-pentan-3-yl-4-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10222402
7-cyclohexyl-6-[4-(3-methylsulfonylphenoxy)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958027
10-(4-methoxy-2-methylsulfanylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22177864

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).