7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

C13H9ClF2N4 — CID 1481753

IUPAC7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)Cl)n2ncc(-c3ccccn3)c2n1
InChIInChI=1S/C13H9ClF2N4/c1-8-6-11(13(14,15)16)20-12(19-8)9(7-18-20)10-4-2-3-5-17-10/h2-7H,1H3
InChIKeyATQQNMPFDBPFDH-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.39
Rot. Bonds2

About 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 1481753) has the molecular formula C13H9ClF2N4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID1481753
Molecular FormulaC13H9ClF2N4
Molecular Weight294.69 g/mol
Exact Mass294.05
IUPAC Name7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)Cl)n2ncc(-c3ccccn3)c2n1
InChIInChI=1S/C13H9ClF2N4/c1-8-6-11(13(14,15)16)20-12(19-8)9(7-18-20)10-4-2-3-5-17-10/h2-7H,1H3
InChIKeyATQQNMPFDBPFDH-UHFFFAOYSA-N
XLogP3.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (CID 1481753) is 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)Cl)n2ncc(-c3ccccn3)c2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ATQQNMPFDBPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N4/c1-8-6-11(13(14,15)16)20-12(19-8)9(7-18-20)10-4-2-3-5-17-10/h2-7H,1H3.
What are the key properties of 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 294.69 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1481753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).