N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine

C21H24N6 — CID 74241148

IUPACN-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
SMILESCN(CCCc1nccn1C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C21H24N6/c1-25(11-6-9-20-22-10-12-26(20)2)15-17-13-23-21-19(14-24-27(21)16-17)18-7-4-3-5-8-18/h3-5,7-8,10,12-14,16H,6,9,11,15H2,1-2H3
InChIKeyQOWXODILGCDOOG-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.19
Rot. Bonds7

About N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine

N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine (PubChem CID 74241148) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
PubChem CID74241148
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
SMILESCN(CCCc1nccn1C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C21H24N6/c1-25(11-6-9-20-22-10-12-26(20)2)15-17-13-23-21-19(14-24-27(21)16-17)18-7-4-3-5-8-18/h3-5,7-8,10,12-14,16H,6,9,11,15H2,1-2H3
InChIKeyQOWXODILGCDOOG-UHFFFAOYSA-N
XLogP3.19
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine (CID 74241148) is N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine is CN(CCCc1nccn1C)Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
The InChIKey is QOWXODILGCDOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-25(11-6-9-20-22-10-12-26(20)2)15-17-13-23-21-19(14-24-27(21)16-17)18-7-4-3-5-8-18/h3-5,7-8,10,12-14,16H,6,9,11,15H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine has a molecular weight of 360.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 74241148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).