7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H9BrN4 — CID 6462785

IUPAC7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(-c2ccc(Br)cc2)n2ncc(C#N)c2n1
InChIInChI=1S/C14H9BrN4/c1-9-6-13(10-2-4-12(15)5-3-10)19-14(18-9)11(7-16)8-17-19/h2-6,8H,1H3
InChIKeyHQRIIQFFHRMFJL-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.34
Rot. Bonds1

About 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 6462785) has the molecular formula C14H9BrN4 and a molecular weight of 313.16 g/mol. Its IUPAC name is 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID6462785
Molecular FormulaC14H9BrN4
Molecular Weight313.16 g/mol
Exact Mass312.00
IUPAC Name7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(-c2ccc(Br)cc2)n2ncc(C#N)c2n1
InChIInChI=1S/C14H9BrN4/c1-9-6-13(10-2-4-12(15)5-3-10)19-14(18-9)11(7-16)8-17-19/h2-6,8H,1H3
InChIKeyHQRIIQFFHRMFJL-UHFFFAOYSA-N
XLogP3.34
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 6462785) is 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(-c2ccc(Br)cc2)n2ncc(C#N)c2n1.
What is the InChIKey of 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HQRIIQFFHRMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4/c1-9-6-13(10-2-4-12(15)5-3-10)19-14(18-9)11(7-16)8-17-19/h2-6,8H,1H3.
What are the key properties of 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 313.16 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 6462785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).