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

C20H19N5 — CID 72546230

IUPACN'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccccc3-c3ccccc3)c2n1
InChIInChI=1S/C20H19N5/c21-11-12-22-19-10-13-25-20(24-19)18(14-23-25)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-10,13-14H,11-12,21H2,(H,22,24)
InChIKeyZFESSXCZRFOTAY-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.43
Rot. Bonds5

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

N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72546230) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72546230
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccccc3-c3ccccc3)c2n1
InChIInChI=1S/C20H19N5/c21-11-12-22-19-10-13-25-20(24-19)18(14-23-25)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-10,13-14H,11-12,21H2,(H,22,24)
InChIKeyZFESSXCZRFOTAY-UHFFFAOYSA-N
XLogP3.43
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72546230) is N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ccn2ncc(-c3ccccc3-c3ccccc3)c2n1.
What is the InChIKey of N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is ZFESSXCZRFOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c21-11-12-22-19-10-13-25-20(24-19)18(14-23-25)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-10,13-14H,11-12,21H2,(H,22,24).
What are the key properties of N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 329.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72546230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).