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

C11H15F2N5 — CID 112705261

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNCc1nccn1C(F)F
InChIInChI=1S/C11H15F2N5/c1-8-9(7-17(2)16-8)5-14-6-10-15-3-4-18(10)11(12)13/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyVDXDLRYPJMVXQC-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.61
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 112705261) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID112705261
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNCc1nccn1C(F)F
InChIInChI=1S/C11H15F2N5/c1-8-9(7-17(2)16-8)5-14-6-10-15-3-4-18(10)11(12)13/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyVDXDLRYPJMVXQC-UHFFFAOYSA-N
XLogP1.61
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine (CID 112705261) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine is Cc1nn(C)cc1CNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is VDXDLRYPJMVXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-8-9(7-17(2)16-8)5-14-6-10-15-3-4-18(10)11(12)13/h3-4,7,11,14H,5-6H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 255.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 112705261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).