4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole

C10H11BrF2N4 — CID 55039040

IUPAC4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1Br
InChIInChI=1S/C10H11BrF2N4/c1-6-9(11)7(2)17(15-6)5-8-14-3-4-16(8)10(12)13/h3-4,10H,5H2,1-2H3
InChIKeyYYVAJFBGNUBGLY-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.90
Rot. Bonds3

About 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole

4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 55039040) has the molecular formula C10H11BrF2N4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID55039040
Molecular FormulaC10H11BrF2N4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Name4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1Br
InChIInChI=1S/C10H11BrF2N4/c1-6-9(11)7(2)17(15-6)5-8-14-3-4-16(8)10(12)13/h3-4,10H,5H2,1-2H3
InChIKeyYYVAJFBGNUBGLY-UHFFFAOYSA-N
XLogP2.90
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole (CID 55039040) is 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole is Cc1nn(Cc2nccn2C(F)F)c(C)c1Br.
What is the InChIKey of 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is YYVAJFBGNUBGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N4/c1-6-9(11)7(2)17(15-6)5-8-14-3-4-16(8)10(12)13/h3-4,10H,5H2,1-2H3.
What are the key properties of 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 305.13 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 55039040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).