4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole

C7H7BrN4 — CID 16640641

IUPAC4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole
SMILESCn1cc(-c2[nH]ncc2Br)cn1
InChIInChI=1S/C7H7BrN4/c1-12-4-5(2-10-12)7-6(8)3-9-11-7/h2-4H,1H3,(H,9,11)
InChIKeyKFDMAELXRTZPPX-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.57
Rot. Bonds1

About 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole

4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole (PubChem CID 16640641) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole
PubChem CID16640641
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole
SMILESCn1cc(-c2[nH]ncc2Br)cn1
InChIInChI=1S/C7H7BrN4/c1-12-4-5(2-10-12)7-6(8)3-9-11-7/h2-4H,1H3,(H,9,11)
InChIKeyKFDMAELXRTZPPX-UHFFFAOYSA-N
XLogP1.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole (CID 16640641) is 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole is Cn1cc(-c2[nH]ncc2Br)cn1.
What is the InChIKey of 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole?
The InChIKey is KFDMAELXRTZPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-12-4-5(2-10-12)7-6(8)3-9-11-7/h2-4H,1H3,(H,9,11).
What are the key properties of 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole?
4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole has a molecular weight of 227.06 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(1-methylpyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 16640641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).