(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine

C8H13F2N3 — CID 135132848

IUPAC(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine
SMILESCCC(F)(F)[C@H](N)Cn1cccn1
InChIInChI=1S/C8H13F2N3/c1-2-8(9,10)7(11)6-13-5-3-4-12-13/h3-5,7H,2,6,11H2,1H3/t7-/m1/s1
InChIKeyABBLGABGFQSUNE-SSDOTTSWSA-N
MW189.21 g/mol
LogP1.26
Rot. Bonds4

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

(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine (PubChem CID 135132848) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine.

Molecular Properties

Compound Name(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine
PubChem CID135132848
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine
SMILESCCC(F)(F)[C@H](N)Cn1cccn1
InChIInChI=1S/C8H13F2N3/c1-2-8(9,10)7(11)6-13-5-3-4-12-13/h3-5,7H,2,6,11H2,1H3/t7-/m1/s1
InChIKeyABBLGABGFQSUNE-SSDOTTSWSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine?
The IUPAC name of (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine (CID 135132848) is (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine.
What is the SMILES notation for (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine?
The canonical SMILES for (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine is CCC(F)(F)[C@H](N)Cn1cccn1.
What is the InChIKey of (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine?
The InChIKey is ABBLGABGFQSUNE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-2-8(9,10)7(11)6-13-5-3-4-12-13/h3-5,7H,2,6,11H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine?
(2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-1-pyrazol-1-ylpentan-2-amine is sourced from PubChem (CID 135132848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).