3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine

C14H10BrF2N3O — CID 4775806

IUPAC3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(OC(F)F)cc3)ccnc2c1Br
InChIInChI=1S/C14H10BrF2N3O/c1-8-12(15)13-18-7-6-11(20(13)19-8)9-2-4-10(5-3-9)21-14(16)17/h2-7,14H,1H3
InChIKeyKDFLMYCVSJYMHK-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.07
Rot. Bonds3

About 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4775806) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4775806
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(OC(F)F)cc3)ccnc2c1Br
InChIInChI=1S/C14H10BrF2N3O/c1-8-12(15)13-18-7-6-11(20(13)19-8)9-2-4-10(5-3-9)21-14(16)17/h2-7,14H,1H3
InChIKeyKDFLMYCVSJYMHK-UHFFFAOYSA-N
XLogP4.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine (CID 4775806) is 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccc(OC(F)F)cc3)ccnc2c1Br.
What is the InChIKey of 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KDFLMYCVSJYMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-8-12(15)13-18-7-6-11(20(13)19-8)9-2-4-10(5-3-9)21-14(16)17/h2-7,14H,1H3.
What are the key properties of 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 354.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4775806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).