3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine

C11H15F2N5 — CID 103571214

IUPAC3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine
SMILESCCn1cc(-c2cncn2CC(F)(F)CN)cn1
InChIInChI=1S/C11H15F2N5/c1-2-18-5-9(3-16-18)10-4-15-8-17(10)7-11(12,13)6-14/h3-5,8H,2,6-7,14H2,1H3
InChIKeyIMJOINIRLCLHCZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.36
Rot. Bonds5

About 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine

3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine (PubChem CID 103571214) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine
PubChem CID103571214
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine
SMILESCCn1cc(-c2cncn2CC(F)(F)CN)cn1
InChIInChI=1S/C11H15F2N5/c1-2-18-5-9(3-16-18)10-4-15-8-17(10)7-11(12,13)6-14/h3-5,8H,2,6-7,14H2,1H3
InChIKeyIMJOINIRLCLHCZ-UHFFFAOYSA-N
XLogP1.36
TPSA61.66 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine?
The IUPAC name of 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine (CID 103571214) is 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine is CCn1cc(-c2cncn2CC(F)(F)CN)cn1.
What is the InChIKey of 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine?
The InChIKey is IMJOINIRLCLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-2-18-5-9(3-16-18)10-4-15-8-17(10)7-11(12,13)6-14/h3-5,8H,2,6-7,14H2,1H3.
What are the key properties of 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine?
3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine has a molecular weight of 255.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine is sourced from PubChem (CID 103571214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).