N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine

C21H28N6 — CID 144918207

IUPACN'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine
SMILESC=C(NC)c1cccc(-c2cnn3ccc(NCCN(C)CCC)nc23)c1
InChIInChI=1S/C21H28N6/c1-5-11-26(4)13-10-23-20-9-12-27-21(25-20)19(15-24-27)18-8-6-7-17(14-18)16(2)22-3/h6-9,12,14-15,22H,2,5,10-11,13H2,1,3-4H3,(H,23,25)
InChIKeyUELNKJPFSLTGTN-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.34
Rot. Bonds9

About N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine

N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine (PubChem CID 144918207) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine
PubChem CID144918207
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine
SMILESC=C(NC)c1cccc(-c2cnn3ccc(NCCN(C)CCC)nc23)c1
InChIInChI=1S/C21H28N6/c1-5-11-26(4)13-10-23-20-9-12-27-21(25-20)19(15-24-27)18-8-6-7-17(14-18)16(2)22-3/h6-9,12,14-15,22H,2,5,10-11,13H2,1,3-4H3,(H,23,25)
InChIKeyUELNKJPFSLTGTN-UHFFFAOYSA-N
XLogP3.34
TPSA57.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine (CID 144918207) is N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine is C=C(NC)c1cccc(-c2cnn3ccc(NCCN(C)CCC)nc23)c1.
What is the InChIKey of N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine?
The InChIKey is UELNKJPFSLTGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-5-11-26(4)13-10-23-20-9-12-27-21(25-20)19(15-24-27)18-8-6-7-17(14-18)16(2)22-3/h6-9,12,14-15,22H,2,5,10-11,13H2,1,3-4H3,(H,23,25).
What are the key properties of N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine?
N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine has a molecular weight of 364.50 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 144918207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).