(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine

C8H14FN3 — CID 135132894

IUPAC(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine
SMILESCC[C@@H](F)[C@@H](N)Cn1cccn1
InChIInChI=1S/C8H14FN3/c1-2-7(9)8(10)6-12-5-3-4-11-12/h3-5,7-8H,2,6,10H2,1H3/t7-,8+/m1/s1
InChIKeySUINMFDDFZQASI-SFYZADRCSA-N
MW171.22 g/mol
LogP0.96
Rot. Bonds4

About (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine

(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine (PubChem CID 135132894) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine
PubChem CID135132894
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine
SMILESCC[C@@H](F)[C@@H](N)Cn1cccn1
InChIInChI=1S/C8H14FN3/c1-2-7(9)8(10)6-12-5-3-4-11-12/h3-5,7-8H,2,6,10H2,1H3/t7-,8+/m1/s1
InChIKeySUINMFDDFZQASI-SFYZADRCSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine?
The IUPAC name of (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine (CID 135132894) is (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine.
What is the SMILES notation for (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine?
The canonical SMILES for (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine is CC[C@@H](F)[C@@H](N)Cn1cccn1.
What is the InChIKey of (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine?
The InChIKey is SUINMFDDFZQASI-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14FN3/c1-2-7(9)8(10)6-12-5-3-4-11-12/h3-5,7-8H,2,6,10H2,1H3/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine?
(2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-1-pyrazol-1-ylpentan-2-amine is sourced from PubChem (CID 135132894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).