4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole

C10H13BrN4 — CID 62129090

IUPAC4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole
SMILESCc1nn(CCn2cccn2)c(C)c1Br
InChIInChI=1S/C10H13BrN4/c1-8-10(11)9(2)15(13-8)7-6-14-5-3-4-12-14/h3-5H,6-7H2,1-2H3
InChIKeyILXLJVBLOWTTCR-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.16
Rot. Bonds3

About 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole

4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole (PubChem CID 62129090) has the molecular formula C10H13BrN4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole
PubChem CID62129090
Molecular FormulaC10H13BrN4
Molecular Weight269.15 g/mol
Exact Mass268.03
IUPAC Name4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole
SMILESCc1nn(CCn2cccn2)c(C)c1Br
InChIInChI=1S/C10H13BrN4/c1-8-10(11)9(2)15(13-8)7-6-14-5-3-4-12-14/h3-5H,6-7H2,1-2H3
InChIKeyILXLJVBLOWTTCR-UHFFFAOYSA-N
XLogP2.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole?
The IUPAC name of 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole (CID 62129090) is 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole.
What is the SMILES notation for 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole?
The canonical SMILES for 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole is Cc1nn(CCn2cccn2)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole?
The InChIKey is ILXLJVBLOWTTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4/c1-8-10(11)9(2)15(13-8)7-6-14-5-3-4-12-14/h3-5H,6-7H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole?
4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole has a molecular weight of 269.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole is sourced from PubChem (CID 62129090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).