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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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
Adenosine receptor antagonist 3
CID 146268692
3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
3-bromo-N-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10475216
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224366
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224565
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68753359

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).