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

C18H17N5S — CID 72546473

IUPACN'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccc(-c4ccccc4)s3)c2n1
InChIInChI=1S/C18H17N5S/c19-9-10-20-17-8-11-23-18(22-17)14(12-21-23)16-7-6-15(24-16)13-4-2-1-3-5-13/h1-8,11-12H,9-10,19H2,(H,20,22)
InChIKeyVNGJOBBSUFSLQI-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.50
Rot. Bonds5

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

N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72546473) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72546473
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC NameN'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccc(-c4ccccc4)s3)c2n1
InChIInChI=1S/C18H17N5S/c19-9-10-20-17-8-11-23-18(22-17)14(12-21-23)16-7-6-15(24-16)13-4-2-1-3-5-13/h1-8,11-12H,9-10,19H2,(H,20,22)
InChIKeyVNGJOBBSUFSLQI-UHFFFAOYSA-N
XLogP3.50
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72546473) is N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ccn2ncc(-c3ccc(-c4ccccc4)s3)c2n1.
What is the InChIKey of N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is VNGJOBBSUFSLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c19-9-10-20-17-8-11-23-18(22-17)14(12-21-23)16-7-6-15(24-16)13-4-2-1-3-5-13/h1-8,11-12H,9-10,19H2,(H,20,22).
What are the key properties of N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 335.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72546473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).