5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine

C11H18FN3O — CID 157042317

IUPAC5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
SMILESCC(C)(C)c1c(F)c(N)nn1[C@H]1CCOC1
InChIInChI=1S/C11H18FN3O/c1-11(2,3)9-8(12)10(13)14-15(9)7-4-5-16-6-7/h7H,4-6H2,1-3H3,(H2,13,14)/t7-/m0/s1
InChIKeyGPZRPTMRZZYSEZ-ZETCQYMHSA-N
MW227.28 g/mol
LogP1.86
Rot. Bonds1

About 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine

5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine (PubChem CID 157042317) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
PubChem CID157042317
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
SMILESCC(C)(C)c1c(F)c(N)nn1[C@H]1CCOC1
InChIInChI=1S/C11H18FN3O/c1-11(2,3)9-8(12)10(13)14-15(9)7-4-5-16-6-7/h7H,4-6H2,1-3H3,(H2,13,14)/t7-/m0/s1
InChIKeyGPZRPTMRZZYSEZ-ZETCQYMHSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine (CID 157042317) is 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine is CC(C)(C)c1c(F)c(N)nn1[C@H]1CCOC1.
What is the InChIKey of 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
The InChIKey is GPZRPTMRZZYSEZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(2,3)9-8(12)10(13)14-15(9)7-4-5-16-6-7/h7H,4-6H2,1-3H3,(H2,13,14)/t7-/m0/s1.
What are the key properties of 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine has a molecular weight of 227.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-amine is sourced from PubChem (CID 157042317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).