7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H9ClN4O2 — CID 1489154

IUPAC7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1
InChIInChI=1S/C13H9ClN4O2/c1-8-6-13-15-5-4-11(17(13)16-8)9-2-3-10(14)12(7-9)18(19)20/h2-7H,1H3
InChIKeyYPPJYLAKEAKYPC-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.27
Rot. Bonds2

About 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1489154) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1489154
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1
InChIInChI=1S/C13H9ClN4O2/c1-8-6-13-15-5-4-11(17(13)16-8)9-2-3-10(14)12(7-9)18(19)20/h2-7H,1H3
InChIKeyYPPJYLAKEAKYPC-UHFFFAOYSA-N
XLogP3.27
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 1489154) is 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1.
What is the InChIKey of 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YPPJYLAKEAKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-8-6-13-15-5-4-11(17(13)16-8)9-2-3-10(14)12(7-9)18(19)20/h2-7H,1H3.
What are the key properties of 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 288.69 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1489154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).