2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine

C21H17N7 — CID 139224884

IUPAC2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1cc(-c2ccccc2)n2nc(-n3nc(-c4ccccc4)cc3N)cc2n1
InChIInChI=1S/C21H17N7/c22-18-12-17(15-9-5-2-6-10-15)27-20(24-18)13-21(26-27)28-19(23)11-16(25-28)14-7-3-1-4-8-14/h1-13H,23H2,(H2,22,24)
InChIKeyKPDBIQKIOANTRR-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.41
Rot. Bonds3

About 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine

2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 139224884) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID139224884
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC Name2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1cc(-c2ccccc2)n2nc(-n3nc(-c4ccccc4)cc3N)cc2n1
InChIInChI=1S/C21H17N7/c22-18-12-17(15-9-5-2-6-10-15)27-20(24-18)13-21(26-27)28-19(23)11-16(25-28)14-7-3-1-4-8-14/h1-13H,23H2,(H2,22,24)
InChIKeyKPDBIQKIOANTRR-UHFFFAOYSA-N
XLogP3.41
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 139224884) is 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine is Nc1cc(-c2ccccc2)n2nc(-n3nc(-c4ccccc4)cc3N)cc2n1.
What is the InChIKey of 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is KPDBIQKIOANTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c22-18-12-17(15-9-5-2-6-10-15)27-20(24-18)13-21(26-27)28-19(23)11-16(25-28)14-7-3-1-4-8-14/h1-13H,23H2,(H2,22,24).
What are the key properties of 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 367.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 139224884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).