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

C10H12F2N4 — CID 63810301

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2nccn2C(F)F)n1
InChIInChI=1S/C10H12F2N4/c1-7-5-8(2)16(14-7)6-9-13-3-4-15(9)10(11)12/h3-5,10H,6H2,1-2H3
InChIKeyXYHCLUMLZPUFHH-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.14
Rot. Bonds3

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 63810301) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID63810301
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2nccn2C(F)F)n1
InChIInChI=1S/C10H12F2N4/c1-7-5-8(2)16(14-7)6-9-13-3-4-15(9)10(11)12/h3-5,10H,6H2,1-2H3
InChIKeyXYHCLUMLZPUFHH-UHFFFAOYSA-N
XLogP2.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole (CID 63810301) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2nccn2C(F)F)n1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is XYHCLUMLZPUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-7-5-8(2)16(14-7)6-9-13-3-4-15(9)10(11)12/h3-5,10H,6H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 226.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 63810301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).