3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine

C6H10FN3 — CID 115011513

IUPAC3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine
SMILESNCCCc1cn[nH]c1F
InChIInChI=1S/C6H10FN3/c7-6-5(2-1-3-8)4-9-10-6/h4H,1-3,8H2,(H,9,10)
InChIKeyIWNZCXHGHOOMCU-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.44
Rot. Bonds3

About 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine

3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 115011513) has the molecular formula C6H10FN3 and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine
PubChem CID115011513
Molecular FormulaC6H10FN3
Molecular Weight143.17 g/mol
Exact Mass143.09
IUPAC Name3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine
SMILESNCCCc1cn[nH]c1F
InChIInChI=1S/C6H10FN3/c7-6-5(2-1-3-8)4-9-10-6/h4H,1-3,8H2,(H,9,10)
InChIKeyIWNZCXHGHOOMCU-UHFFFAOYSA-N
XLogP0.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine (CID 115011513) is 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine is NCCCc1cn[nH]c1F.
What is the InChIKey of 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is IWNZCXHGHOOMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c7-6-5(2-1-3-8)4-9-10-6/h4H,1-3,8H2,(H,9,10).
What are the key properties of 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine?
3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 143.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115011513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).