3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal

C19H23N5O — CID 143598098

IUPAC3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal
SMILESCN(C)CCNc1ccn2ncc(-c3ccc(CCC=O)cc3)c2n1
InChIInChI=1S/C19H23N5O/c1-23(2)12-10-20-18-9-11-24-19(22-18)17(14-21-24)16-7-5-15(6-8-16)4-3-13-25/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,20,22)
InChIKeyLHIKSXQIJNPDCR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.50
Rot. Bonds8

About 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal

3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal (PubChem CID 143598098) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal.

Molecular Properties

Compound Name3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal
PubChem CID143598098
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal
SMILESCN(C)CCNc1ccn2ncc(-c3ccc(CCC=O)cc3)c2n1
InChIInChI=1S/C19H23N5O/c1-23(2)12-10-20-18-9-11-24-19(22-18)17(14-21-24)16-7-5-15(6-8-16)4-3-13-25/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,20,22)
InChIKeyLHIKSXQIJNPDCR-UHFFFAOYSA-N
XLogP2.50
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal?
The IUPAC name of 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal (CID 143598098) is 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal.
What is the SMILES notation for 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal?
The canonical SMILES for 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal is CN(C)CCNc1ccn2ncc(-c3ccc(CCC=O)cc3)c2n1.
What is the InChIKey of 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal?
The InChIKey is LHIKSXQIJNPDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23(2)12-10-20-18-9-11-24-19(22-18)17(14-21-24)16-7-5-15(6-8-16)4-3-13-25/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,20,22).
What are the key properties of 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal?
3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal has a molecular weight of 337.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal is sourced from PubChem (CID 143598098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).