3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine

C9H8N4 — CID 123265279

IUPAC3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine
SMILES[H]/N=C/C=Cc1cc2ccncn2n1
InChIInChI=1S/C9H8N4/c10-4-1-2-8-6-9-3-5-11-7-13(9)12-8/h1-7,10H/b2-1?,10-4+
InChIKeySBWJLLCCYGCZIP-KIHWBLKRSA-N
MW172.19 g/mol
LogP1.39
Rot. Bonds2

About 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine

3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine (PubChem CID 123265279) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine
PubChem CID123265279
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine
SMILES[H]/N=C/C=Cc1cc2ccncn2n1
InChIInChI=1S/C9H8N4/c10-4-1-2-8-6-9-3-5-11-7-13(9)12-8/h1-7,10H/b2-1?,10-4+
InChIKeySBWJLLCCYGCZIP-KIHWBLKRSA-N
XLogP1.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine?
The IUPAC name of 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine (CID 123265279) is 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine.
What is the SMILES notation for 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine?
The canonical SMILES for 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine is [H]/N=C/C=Cc1cc2ccncn2n1.
What is the InChIKey of 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine?
The InChIKey is SBWJLLCCYGCZIP-KIHWBLKRSA-N. The full InChI is InChI=1S/C9H8N4/c10-4-1-2-8-6-9-3-5-11-7-13(9)12-8/h1-7,10H/b2-1?,10-4+.
What are the key properties of 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine?
3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine has a molecular weight of 172.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-c]pyrimidin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 123265279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).