5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

C14H10ClF2N3 — CID 4773292

IUPAC5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2n1
InChIInChI=1S/C14H10ClF2N3/c1-8-6-13-18-11(9-2-4-10(15)5-3-9)7-12(14(16)17)20(13)19-8/h2-7,14H,1H3
InChIKeyDRVHOKIYJHQDPO-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.30
Rot. Bonds2

About 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4773292) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4773292
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2n1
InChIInChI=1S/C14H10ClF2N3/c1-8-6-13-18-11(9-2-4-10(15)5-3-9)7-12(14(16)17)20(13)19-8/h2-7,14H,1H3
InChIKeyDRVHOKIYJHQDPO-UHFFFAOYSA-N
XLogP4.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4773292) is 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DRVHOKIYJHQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-8-6-13-18-11(9-2-4-10(15)5-3-9)7-12(14(16)17)20(13)19-8/h2-7,14H,1H3.
What are the key properties of 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 293.70 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4773292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).