3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H19N3OS — CID 17067724

IUPAC3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c2N=C(C)CC3c2cccs2)cc1
InChIInChI=1S/C19H19N3OS/c1-12-11-16(17-5-4-10-24-17)22-19(20-12)18(13(2)21-22)14-6-8-15(23-3)9-7-14/h4-10,16H,11H2,1-3H3
InChIKeyJSKBEBYOGZIJLR-UHFFFAOYSA-N
MW337.45 g/mol
LogP5.01
Rot. Bonds3

About 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 17067724) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID17067724
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c2N=C(C)CC3c2cccs2)cc1
InChIInChI=1S/C19H19N3OS/c1-12-11-16(17-5-4-10-24-17)22-19(20-12)18(13(2)21-22)14-6-8-15(23-3)9-7-14/h4-10,16H,11H2,1-3H3
InChIKeyJSKBEBYOGZIJLR-UHFFFAOYSA-N
XLogP5.01
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 17067724) is 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c2N=C(C)CC3c2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JSKBEBYOGZIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-11-16(17-5-4-10-24-17)22-19(20-12)18(13(2)21-22)14-6-8-15(23-3)9-7-14/h4-10,16H,11H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 337.45 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17067724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).