3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H19N5 — CID 174501483

IUPAC3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1ccc(-c2cnn3c(N)c(-c4ccccc4)cnc23)cc1
InChIInChI=1S/C20H19N5/c1-24(2)16-10-8-15(9-11-16)18-13-23-25-19(21)17(12-22-20(18)25)14-6-4-3-5-7-14/h3-13H,21H2,1-2H3
InChIKeyKPUIKAJYZAZGEI-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.71
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 174501483) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID174501483
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1ccc(-c2cnn3c(N)c(-c4ccccc4)cnc23)cc1
InChIInChI=1S/C20H19N5/c1-24(2)16-10-8-15(9-11-16)18-13-23-25-19(21)17(12-22-20(18)25)14-6-4-3-5-7-14/h3-13H,21H2,1-2H3
InChIKeyKPUIKAJYZAZGEI-UHFFFAOYSA-N
XLogP3.71
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 174501483) is 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CN(C)c1ccc(-c2cnn3c(N)c(-c4ccccc4)cnc23)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KPUIKAJYZAZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-24(2)16-10-8-15(9-11-16)18-13-23-25-19(21)17(12-22-20(18)25)14-6-4-3-5-7-14/h3-13H,21H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 174501483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).