1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine

C9H10F5N3O — CID 157042382

IUPAC1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)C(F)(F)F)n([C@H]2CCOC2)n1
InChIInChI=1S/C9H10F5N3O/c10-8(11,9(12,13)14)6-3-7(15)16-17(6)5-1-2-18-4-5/h3,5H,1-2,4H2,(H2,15,16)/t5-/m0/s1
InChIKeyNOFFYGKXBFTQRU-YFKPBYRVSA-N
MW271.19 g/mol
LogP2.08
Rot. Bonds2

About 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine

1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine (PubChem CID 157042382) has the molecular formula C9H10F5N3O and a molecular weight of 271.19 g/mol. Its IUPAC name is 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
PubChem CID157042382
Molecular FormulaC9H10F5N3O
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC Name1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)C(F)(F)F)n([C@H]2CCOC2)n1
InChIInChI=1S/C9H10F5N3O/c10-8(11,9(12,13)14)6-3-7(15)16-17(6)5-1-2-18-4-5/h3,5H,1-2,4H2,(H2,15,16)/t5-/m0/s1
InChIKeyNOFFYGKXBFTQRU-YFKPBYRVSA-N
XLogP2.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The IUPAC name of 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine (CID 157042382) is 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The canonical SMILES for 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine is Nc1cc(C(F)(F)C(F)(F)F)n([C@H]2CCOC2)n1.
What is the InChIKey of 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
The InChIKey is NOFFYGKXBFTQRU-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F5N3O/c10-8(11,9(12,13)14)6-3-7(15)16-17(6)5-1-2-18-4-5/h3,5H,1-2,4H2,(H2,15,16)/t5-/m0/s1.
What are the key properties of 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine?
1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine has a molecular weight of 271.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 157042382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).