2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine

C11H11BrN4 — CID 121211404

IUPAC2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
SMILESBrCc1c(-c2cnccn2)n[nH]c1C1CC1
InChIInChI=1S/C11H11BrN4/c12-5-8-10(7-1-2-7)15-16-11(8)9-6-13-3-4-14-9/h3-4,6-7H,1-2,5H2,(H,15,16)
InChIKeySXDSDOWQSLMZMY-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.64
Rot. Bonds3

About 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine

2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine (PubChem CID 121211404) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
PubChem CID121211404
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
SMILESBrCc1c(-c2cnccn2)n[nH]c1C1CC1
InChIInChI=1S/C11H11BrN4/c12-5-8-10(7-1-2-7)15-16-11(8)9-6-13-3-4-14-9/h3-4,6-7H,1-2,5H2,(H,15,16)
InChIKeySXDSDOWQSLMZMY-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
The IUPAC name of 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine (CID 121211404) is 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine is BrCc1c(-c2cnccn2)n[nH]c1C1CC1.
What is the InChIKey of 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
The InChIKey is SXDSDOWQSLMZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-5-8-10(7-1-2-7)15-16-11(8)9-6-13-3-4-14-9/h3-4,6-7H,1-2,5H2,(H,15,16).
What are the key properties of 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine has a molecular weight of 279.14 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine is sourced from PubChem (CID 121211404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).