2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H15N3S — CID 136709464

IUPAC2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc3n(n2)C(c2ccsc2)CCN3)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-12(5-3-1)14-10-16-17-8-6-15(19(16)18-14)13-7-9-20-11-13/h1-5,7,9-11,15,17H,6,8H2
InChIKeyRDENEOCSDOYSSN-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.02
Rot. Bonds2

About 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709464) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709464
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc3n(n2)C(c2ccsc2)CCN3)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-12(5-3-1)14-10-16-17-8-6-15(19(16)18-14)13-7-9-20-11-13/h1-5,7,9-11,15,17H,6,8H2
InChIKeyRDENEOCSDOYSSN-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709464) is 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1ccc(-c2cc3n(n2)C(c2ccsc2)CCN3)cc1.
What is the InChIKey of 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RDENEOCSDOYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-4-12(5-3-1)14-10-16-17-8-6-15(19(16)18-14)13-7-9-20-11-13/h1-5,7,9-11,15,17H,6,8H2.
What are the key properties of 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 281.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).