5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C13H12N4 — CID 652106

IUPAC5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C13H12N4/c1-9-7-12(14)17-13(16-9)11(8-15-17)10-5-3-2-4-6-10/h2-8H,14H2,1H3
InChIKeyFNZGESRXTJTTTN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.29
Rot. Bonds1

About 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 652106) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID652106
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C13H12N4/c1-9-7-12(14)17-13(16-9)11(8-15-17)10-5-3-2-4-6-10/h2-8H,14H2,1H3
InChIKeyFNZGESRXTJTTTN-UHFFFAOYSA-N
XLogP2.29
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 652106) is 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FNZGESRXTJTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-7-12(14)17-13(16-9)11(8-15-17)10-5-3-2-4-6-10/h2-8H,14H2,1H3.
What are the key properties of 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 224.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 652106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).