N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine

C11H15F2N5 — CID 113434549

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CCNCc2nccn2C(F)F)n1
InChIInChI=1S/C11H15F2N5/c1-17-6-3-9(16-17)2-4-14-8-10-15-5-7-18(10)11(12)13/h3,5-7,11,14H,2,4,8H2,1H3
InChIKeyFFYYRWNAUSBNKI-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.34
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 113434549) 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]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID113434549
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CCNCc2nccn2C(F)F)n1
InChIInChI=1S/C11H15F2N5/c1-17-6-3-9(16-17)2-4-14-8-10-15-5-7-18(10)11(12)13/h3,5-7,11,14H,2,4,8H2,1H3
InChIKeyFFYYRWNAUSBNKI-UHFFFAOYSA-N
XLogP1.34
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 113434549) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CCNCc2nccn2C(F)F)n1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is FFYYRWNAUSBNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-17-6-3-9(16-17)2-4-14-8-10-15-5-7-18(10)11(12)13/h3,5-7,11,14H,2,4,8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 255.27 g/mol, XLogP of 1.34, 6 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]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 113434549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).