2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine

C10H13F2N5 — CID 114384610

IUPAC2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCn1cc(-c2cncn2CC(F)(F)CN)cn1
InChIInChI=1S/C10H13F2N5/c1-16-4-8(2-15-16)9-3-14-7-17(9)6-10(11,12)5-13/h2-4,7H,5-6,13H2,1H3
InChIKeyIEALFGWZOCQEFA-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.88
Rot. Bonds4

About 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine

2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine (PubChem CID 114384610) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
PubChem CID114384610
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCn1cc(-c2cncn2CC(F)(F)CN)cn1
InChIInChI=1S/C10H13F2N5/c1-16-4-8(2-15-16)9-3-14-7-17(9)6-10(11,12)5-13/h2-4,7H,5-6,13H2,1H3
InChIKeyIEALFGWZOCQEFA-UHFFFAOYSA-N
XLogP0.88
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine (CID 114384610) is 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine is Cn1cc(-c2cncn2CC(F)(F)CN)cn1.
What is the InChIKey of 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is IEALFGWZOCQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-16-4-8(2-15-16)9-3-14-7-17(9)6-10(11,12)5-13/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 114384610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).