1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine

C8H14FN3 — CID 80695135

IUPAC1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CCF)c1
InChIInChI=1S/C8H14FN3/c1-7(10)4-8-5-11-12(6-8)3-2-9/h5-7H,2-4,10H2,1H3
InChIKeyDBUPFRQMFBKZEC-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.74
Rot. Bonds4

About 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine

1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 80695135) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine
PubChem CID80695135
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(CCF)c1
InChIInChI=1S/C8H14FN3/c1-7(10)4-8-5-11-12(6-8)3-2-9/h5-7H,2-4,10H2,1H3
InChIKeyDBUPFRQMFBKZEC-UHFFFAOYSA-N
XLogP0.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine (CID 80695135) is 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine is CC(N)Cc1cnn(CCF)c1.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is DBUPFRQMFBKZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-7(10)4-8-5-11-12(6-8)3-2-9/h5-7H,2-4,10H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine?
1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 80695135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).