5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H16N4 — CID 684862

IUPAC5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccccc3)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C19H16N4/c1-13-18(15-10-6-3-7-11-15)19(20)23-17(21-13)12-16(22-23)14-8-4-2-5-9-14/h2-12H,20H2,1H3
InChIKeyZRBHAIVYEWXKTM-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.95
Rot. Bonds2

About 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 684862) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID684862
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccccc3)nn2c(N)c1-c1ccccc1
InChIInChI=1S/C19H16N4/c1-13-18(15-10-6-3-7-11-15)19(20)23-17(21-13)12-16(22-23)14-8-4-2-5-9-14/h2-12H,20H2,1H3
InChIKeyZRBHAIVYEWXKTM-UHFFFAOYSA-N
XLogP3.95
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 684862) is 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(-c3ccccc3)nn2c(N)c1-c1ccccc1.
What is the InChIKey of 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZRBHAIVYEWXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-18(15-10-6-3-7-11-15)19(20)23-17(21-13)12-16(22-23)14-8-4-2-5-9-14/h2-12H,20H2,1H3.
What are the key properties of 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 684862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).