[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine

C11H15F2N5 — CID 43647504

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1CN
InChIInChI=1S/C11H15F2N5/c1-7-9(5-14)8(2)18(16-7)6-10-15-3-4-17(10)11(12)13/h3-4,11H,5-6,14H2,1-2H3
InChIKeyIWIZDCVDSUEJNA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.60
Rot. Bonds4

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

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 43647504) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID43647504
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1CN
InChIInChI=1S/C11H15F2N5/c1-7-9(5-14)8(2)18(16-7)6-10-15-3-4-17(10)11(12)13/h3-4,11H,5-6,14H2,1-2H3
InChIKeyIWIZDCVDSUEJNA-UHFFFAOYSA-N
XLogP1.60
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine (CID 43647504) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine is Cc1nn(Cc2nccn2C(F)F)c(C)c1CN.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is IWIZDCVDSUEJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-7-9(5-14)8(2)18(16-7)6-10-15-3-4-17(10)11(12)13/h3-4,11H,5-6,14H2,1-2H3.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 255.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 43647504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).