N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine

C15H18N6 — CID 56891977

IUPACN'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESCCc1cc(NCCNc2cccnc2)n2nccc2n1
InChIInChI=1S/C15H18N6/c1-2-12-10-15(21-14(20-12)5-7-19-21)18-9-8-17-13-4-3-6-16-11-13/h3-7,10-11,17-18H,2,8-9H2,1H3
InChIKeyORHJEVIRHHAEHV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.21
Rot. Bonds6

About N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine

N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine (PubChem CID 56891977) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine
PubChem CID56891977
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine
SMILESCCc1cc(NCCNc2cccnc2)n2nccc2n1
InChIInChI=1S/C15H18N6/c1-2-12-10-15(21-14(20-12)5-7-19-21)18-9-8-17-13-4-3-6-16-11-13/h3-7,10-11,17-18H,2,8-9H2,1H3
InChIKeyORHJEVIRHHAEHV-UHFFFAOYSA-N
XLogP2.21
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine (CID 56891977) is N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine is CCc1cc(NCCNc2cccnc2)n2nccc2n1.
What is the InChIKey of N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine?
The InChIKey is ORHJEVIRHHAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-12-10-15(21-14(20-12)5-7-19-21)18-9-8-17-13-4-3-6-16-11-13/h3-7,10-11,17-18H,2,8-9H2,1H3.
What are the key properties of N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine?
N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 56891977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).