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

C12H17F2N5 — CID 103573788

IUPAC2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCCCn1cc(-c2cncn2CC(F)(F)CN)cn1
InChIInChI=1S/C12H17F2N5/c1-2-3-19-6-10(4-17-19)11-5-16-9-18(11)8-12(13,14)7-15/h4-6,9H,2-3,7-8,15H2,1H3
InChIKeyKOBDMPAXRSRXKJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.75
Rot. Bonds6

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

2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine (PubChem CID 103573788) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
PubChem CID103573788
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCCCn1cc(-c2cncn2CC(F)(F)CN)cn1
InChIInChI=1S/C12H17F2N5/c1-2-3-19-6-10(4-17-19)11-5-16-9-18(11)8-12(13,14)7-15/h4-6,9H,2-3,7-8,15H2,1H3
InChIKeyKOBDMPAXRSRXKJ-UHFFFAOYSA-N
XLogP1.75
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.75
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-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine (CID 103573788) is 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine is CCCn1cc(-c2cncn2CC(F)(F)CN)cn1.
What is the InChIKey of 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is KOBDMPAXRSRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5/c1-2-3-19-6-10(4-17-19)11-5-16-9-18(11)8-12(13,14)7-15/h4-6,9H,2-3,7-8,15H2,1H3.
What are the key properties of 2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine?
2,2-difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 269.30 g/mol, XLogP of 1.75, 6 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-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 103573788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).