7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H10F2N4 — CID 4766469

IUPAC7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1
InChIInChI=1S/C15H10F2N4/c1-9-2-4-10(5-3-9)12-6-13(14(16)17)21-15(20-12)11(7-18)8-19-21/h2-6,8,14H,1H3
InChIKeyDURXYANQNRWUJO-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.51
Rot. Bonds2

About 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4766469) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4766469
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1
InChIInChI=1S/C15H10F2N4/c1-9-2-4-10(5-3-9)12-6-13(14(16)17)21-15(20-12)11(7-18)8-19-21/h2-6,8,14H,1H3
InChIKeyDURXYANQNRWUJO-UHFFFAOYSA-N
XLogP3.51
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4766469) is 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DURXYANQNRWUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c1-9-2-4-10(5-3-9)12-6-13(14(16)17)21-15(20-12)11(7-18)8-19-21/h2-6,8,14H,1H3.
What are the key properties of 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4766469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).