7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

C15H10ClF2N3O2 — CID 7020407

IUPAC7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESCOc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Cl)c2n1
InChIInChI=1S/C15H10ClF2N3O2/c1-23-12-5-3-2-4-8(12)10-6-11(14(17)18)21-15(20-10)9(7-19-21)13(16)22/h2-7,14H,1H3
InChIKeyMNPYSGVQMUGEFL-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.72
Rot. Bonds4

About 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (PubChem CID 7020407) has the molecular formula C15H10ClF2N3O2 and a molecular weight of 337.71 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
PubChem CID7020407
Molecular FormulaC15H10ClF2N3O2
Molecular Weight337.71 g/mol
Exact Mass337.04
IUPAC Name7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESCOc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Cl)c2n1
InChIInChI=1S/C15H10ClF2N3O2/c1-23-12-5-3-2-4-8(12)10-6-11(14(17)18)21-15(20-10)9(7-19-21)13(16)22/h2-7,14H,1H3
InChIKeyMNPYSGVQMUGEFL-UHFFFAOYSA-N
XLogP3.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The IUPAC name of 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (CID 7020407) is 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.
What is the SMILES notation for 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The canonical SMILES for 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Cl)c2n1.
What is the InChIKey of 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The InChIKey is MNPYSGVQMUGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2/c1-23-12-5-3-2-4-8(12)10-6-11(14(17)18)21-15(20-10)9(7-19-21)13(16)22/h2-7,14H,1H3.
What are the key properties of 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride has a molecular weight of 337.71 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is sourced from PubChem (CID 7020407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).