3,5-dibromo-1-(cyclopropylmethyl)pyrazole

C7H8Br2N2 — CID 114692401

IUPAC3,5-dibromo-1-(cyclopropylmethyl)pyrazole
SMILESBrc1cc(Br)n(CC2CC2)n1
InChIInChI=1S/C7H8Br2N2/c8-6-3-7(9)11(10-6)4-5-1-2-5/h3,5H,1-2,4H2
InChIKeyCJIDRUSNGLABNZ-UHFFFAOYSA-N
MW279.96 g/mol
LogP2.82
Rot. Bonds2

About 3,5-dibromo-1-(cyclopropylmethyl)pyrazole

3,5-dibromo-1-(cyclopropylmethyl)pyrazole (PubChem CID 114692401) has the molecular formula C7H8Br2N2 and a molecular weight of 279.96 g/mol. Its IUPAC name is 3,5-dibromo-1-(cyclopropylmethyl)pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-(cyclopropylmethyl)pyrazole
PubChem CID114692401
Molecular FormulaC7H8Br2N2
Molecular Weight279.96 g/mol
Exact Mass277.91
IUPAC Name3,5-dibromo-1-(cyclopropylmethyl)pyrazole
SMILESBrc1cc(Br)n(CC2CC2)n1
InChIInChI=1S/C7H8Br2N2/c8-6-3-7(9)11(10-6)4-5-1-2-5/h3,5H,1-2,4H2
InChIKeyCJIDRUSNGLABNZ-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-1-(cyclopropylmethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(cyclopropylmethyl)pyrazole?
The IUPAC name of 3,5-dibromo-1-(cyclopropylmethyl)pyrazole (CID 114692401) is 3,5-dibromo-1-(cyclopropylmethyl)pyrazole.
What is the SMILES notation for 3,5-dibromo-1-(cyclopropylmethyl)pyrazole?
The canonical SMILES for 3,5-dibromo-1-(cyclopropylmethyl)pyrazole is Brc1cc(Br)n(CC2CC2)n1.
What is the InChIKey of 3,5-dibromo-1-(cyclopropylmethyl)pyrazole?
The InChIKey is CJIDRUSNGLABNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2/c8-6-3-7(9)11(10-6)4-5-1-2-5/h3,5H,1-2,4H2.
What are the key properties of 3,5-dibromo-1-(cyclopropylmethyl)pyrazole?
3,5-dibromo-1-(cyclopropylmethyl)pyrazole has a molecular weight of 279.96 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(cyclopropylmethyl)pyrazole is sourced from PubChem (CID 114692401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).