1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine

C13H22FN3O — CID 170126247

IUPAC1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine
SMILESCOC1CC(c2cc(N)n(C(C)(C)C)n2)CC1F
InChIInChI=1S/C13H22FN3O/c1-13(2,3)17-12(15)7-10(16-17)8-5-9(14)11(6-8)18-4/h7-9,11H,5-6,15H2,1-4H3
InChIKeyKBEWCGPJLDYQHM-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.45
Rot. Bonds2

About 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine

1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine (PubChem CID 170126247) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine
PubChem CID170126247
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine
SMILESCOC1CC(c2cc(N)n(C(C)(C)C)n2)CC1F
InChIInChI=1S/C13H22FN3O/c1-13(2,3)17-12(15)7-10(16-17)8-5-9(14)11(6-8)18-4/h7-9,11H,5-6,15H2,1-4H3
InChIKeyKBEWCGPJLDYQHM-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine (CID 170126247) is 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine is COC1CC(c2cc(N)n(C(C)(C)C)n2)CC1F.
What is the InChIKey of 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine?
The InChIKey is KBEWCGPJLDYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-13(2,3)17-12(15)7-10(16-17)8-5-9(14)11(6-8)18-4/h7-9,11H,5-6,15H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine?
1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine has a molecular weight of 255.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-fluoro-4-methoxycyclopentyl)pyrazol-5-amine is sourced from PubChem (CID 170126247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).