4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole

C10H7BrCl2N2 — CID 1249956

IUPAC4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole
SMILESClc1cccc(Cl)c1Cn1cc(Br)cn1
InChIInChI=1S/C10H7BrCl2N2/c11-7-4-14-15(5-7)6-8-9(12)2-1-3-10(8)13/h1-5H,6H2
InChIKeyZJOPOPNUYISZPN-UHFFFAOYSA-N
MW305.99 g/mol
LogP4.00
Rot. Bonds2

About 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole

4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole (PubChem CID 1249956) has the molecular formula C10H7BrCl2N2 and a molecular weight of 305.99 g/mol. Its IUPAC name is 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole
PubChem CID1249956
Molecular FormulaC10H7BrCl2N2
Molecular Weight305.99 g/mol
Exact Mass303.92
IUPAC Name4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole
SMILESClc1cccc(Cl)c1Cn1cc(Br)cn1
InChIInChI=1S/C10H7BrCl2N2/c11-7-4-14-15(5-7)6-8-9(12)2-1-3-10(8)13/h1-5H,6H2
InChIKeyZJOPOPNUYISZPN-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.99
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole?
The IUPAC name of 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole (CID 1249956) is 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole?
The canonical SMILES for 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole is Clc1cccc(Cl)c1Cn1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole?
The InChIKey is ZJOPOPNUYISZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2/c11-7-4-14-15(5-7)6-8-9(12)2-1-3-10(8)13/h1-5H,6H2.
What are the key properties of 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole?
4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole has a molecular weight of 305.99 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2,6-dichlorophenyl)methyl]pyrazole is sourced from PubChem (CID 1249956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).