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

C18H17N5O — CID 72546232

IUPACN'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3cccc(-c4ccco4)c3)c2n1
InChIInChI=1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22)
InChIKeyVDFWYILSYHAMNU-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.03
Rot. Bonds5

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

N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72546232) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72546232
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3cccc(-c4ccco4)c3)c2n1
InChIInChI=1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22)
InChIKeyVDFWYILSYHAMNU-UHFFFAOYSA-N
XLogP3.03
TPSA81.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72546232) is N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ccn2ncc(-c3cccc(-c4ccco4)c3)c2n1.
What is the InChIKey of N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is VDFWYILSYHAMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22).
What are the key properties of N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 319.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72546232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).