1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine

C12H20FN3 — CID 174055538

IUPAC1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2CC[C@@H](F)C2)cc1N
InChIInChI=1S/C12H20FN3/c1-12(2,3)16-11(14)7-10(15-16)8-4-5-9(13)6-8/h7-9H,4-6,14H2,1-3H3/t8-,9-/m1/s1
InChIKeyOKZRZSPWRJGGGH-RKDXNWHRSA-N
MW225.31 g/mol
LogP2.83
Rot. Bonds1

About 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine

1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine (PubChem CID 174055538) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine
PubChem CID174055538
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine
SMILESCC(C)(C)n1nc([C@@H]2CC[C@@H](F)C2)cc1N
InChIInChI=1S/C12H20FN3/c1-12(2,3)16-11(14)7-10(15-16)8-4-5-9(13)6-8/h7-9H,4-6,14H2,1-3H3/t8-,9-/m1/s1
InChIKeyOKZRZSPWRJGGGH-RKDXNWHRSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine (CID 174055538) is 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine is CC(C)(C)n1nc([C@@H]2CC[C@@H](F)C2)cc1N.
What is the InChIKey of 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine?
The InChIKey is OKZRZSPWRJGGGH-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(2,3)16-11(14)7-10(15-16)8-4-5-9(13)6-8/h7-9H,4-6,14H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine?
1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine has a molecular weight of 225.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(1R,3R)-3-fluorocyclopentyl]pyrazol-5-amine is sourced from PubChem (CID 174055538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).