7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H23N3S — CID 136838337

IUPAC7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2n(n1)C(c1sccc1C)CCN2
InChIInChI=1S/C16H23N3S/c1-4-12(5-2)13-10-15-17-8-6-14(19(15)18-13)16-11(3)7-9-20-16/h7,9-10,12,14,17H,4-6,8H2,1-3H3
InChIKeyYETRUGSXZZRYHI-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.56
Rot. Bonds4

About 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838337) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838337
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2n(n1)C(c1sccc1C)CCN2
InChIInChI=1S/C16H23N3S/c1-4-12(5-2)13-10-15-17-8-6-14(19(15)18-13)16-11(3)7-9-20-16/h7,9-10,12,14,17H,4-6,8H2,1-3H3
InChIKeyYETRUGSXZZRYHI-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838337) is 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC(CC)c1cc2n(n1)C(c1sccc1C)CCN2.
What is the InChIKey of 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YETRUGSXZZRYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-12(5-2)13-10-15-17-8-6-14(19(15)18-13)16-11(3)7-9-20-16/h7,9-10,12,14,17H,4-6,8H2,1-3H3.
What are the key properties of 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 289.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).