(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine

C13H13N5 — CID 82270287

IUPAC(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESCc1cc(NN)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C13H13N5/c1-9-7-13(16-14)18-12(15-9)8-11(17-18)10-5-3-2-4-6-10/h2-8,16H,14H2,1H3
InChIKeyQVNVIAIIQPXLAD-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.99
Rot. Bonds2

About (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine

(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine (PubChem CID 82270287) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
PubChem CID82270287
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESCc1cc(NN)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C13H13N5/c1-9-7-13(16-14)18-12(15-9)8-11(17-18)10-5-3-2-4-6-10/h2-8,16H,14H2,1H3
InChIKeyQVNVIAIIQPXLAD-UHFFFAOYSA-N
XLogP1.99
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The IUPAC name of (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine (CID 82270287) is (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The canonical SMILES for (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine is Cc1cc(NN)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The InChIKey is QVNVIAIIQPXLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-7-13(16-14)18-12(15-9)8-11(17-18)10-5-3-2-4-6-10/h2-8,16H,14H2,1H3.
What are the key properties of (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine?
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine has a molecular weight of 239.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine is sourced from PubChem (CID 82270287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).