N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

C16H15N5S — CID 72545997

IUPACN'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccc4sccc4c3)c2n1
InChIInChI=1S/C16H15N5S/c17-5-6-18-15-3-7-21-16(20-15)13(10-19-21)11-1-2-14-12(9-11)4-8-22-14/h1-4,7-10H,5-6,17H2,(H,18,20)
InChIKeyRIKMGOMUZSPXGR-UHFFFAOYSA-N
MW309.40 g/mol
LogP2.98
Rot. Bonds4

About N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72545997) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72545997
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC NameN'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccc4sccc4c3)c2n1
InChIInChI=1S/C16H15N5S/c17-5-6-18-15-3-7-21-16(20-15)13(10-19-21)11-1-2-14-12(9-11)4-8-22-14/h1-4,7-10H,5-6,17H2,(H,18,20)
InChIKeyRIKMGOMUZSPXGR-UHFFFAOYSA-N
XLogP2.98
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72545997) is N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ccn2ncc(-c3ccc4sccc4c3)c2n1.
What is the InChIKey of N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is RIKMGOMUZSPXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c17-5-6-18-15-3-7-21-16(20-15)13(10-19-21)11-1-2-14-12(9-11)4-8-22-14/h1-4,7-10H,5-6,17H2,(H,18,20).
What are the key properties of N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 309.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-benzothiophen-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72545997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).