1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine

C8H14FN3 — CID 166715862

IUPAC1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1ccn(CCF)n1
InChIInChI=1S/C8H14FN3/c1-7(2)10-8-3-5-12(11-8)6-4-9/h3,5,7H,4,6H2,1-2H3,(H,10,11)
InChIKeyYWQFMIDXUAPDDG-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine

1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine (PubChem CID 166715862) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine
PubChem CID166715862
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1ccn(CCF)n1
InChIInChI=1S/C8H14FN3/c1-7(2)10-8-3-5-12(11-8)6-4-9/h3,5,7H,4,6H2,1-2H3,(H,10,11)
InChIKeyYWQFMIDXUAPDDG-UHFFFAOYSA-N
XLogP1.67
TPSA29.85 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine (CID 166715862) is 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine is CC(C)Nc1ccn(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine?
The InChIKey is YWQFMIDXUAPDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-7(2)10-8-3-5-12(11-8)6-4-9/h3,5,7H,4,6H2,1-2H3,(H,10,11).
What are the key properties of 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine?
1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine has a molecular weight of 171.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 166715862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).