4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine

C8H7BrN4 — CID 105370998

IUPAC4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cncnc2Br)cn1
InChIInChI=1S/C8H7BrN4/c1-13-4-6(2-12-13)7-3-10-5-11-8(7)9/h2-5H,1H3
InChIKeyKNQQXJDRTTYIFY-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.64
Rot. Bonds1

About 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine

4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 105370998) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID105370998
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cncnc2Br)cn1
InChIInChI=1S/C8H7BrN4/c1-13-4-6(2-12-13)7-3-10-5-11-8(7)9/h2-5H,1H3
InChIKeyKNQQXJDRTTYIFY-UHFFFAOYSA-N
XLogP1.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine (CID 105370998) is 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cncnc2Br)cn1.
What is the InChIKey of 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is KNQQXJDRTTYIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c1-13-4-6(2-12-13)7-3-10-5-11-8(7)9/h2-5H,1H3.
What are the key properties of 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine?
4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 239.08 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 105370998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).