5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine

C6H8FN3 — CID 86689818

IUPAC5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine
SMILESNc1cc([C@@H]2C[C@@H]2F)[nH]n1
InChIInChI=1S/C6H8FN3/c7-4-1-3(4)5-2-6(8)10-9-5/h2-4H,1H2,(H3,8,9,10)/t3-,4+/m1/s1
InChIKeyLMYIQELFORXUQE-DMTCNVIQSA-N
MW141.15 g/mol
LogP0.82
Rot. Bonds1

About 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine

5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine (PubChem CID 86689818) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine
PubChem CID86689818
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine
SMILESNc1cc([C@@H]2C[C@@H]2F)[nH]n1
InChIInChI=1S/C6H8FN3/c7-4-1-3(4)5-2-6(8)10-9-5/h2-4H,1H2,(H3,8,9,10)/t3-,4+/m1/s1
InChIKeyLMYIQELFORXUQE-DMTCNVIQSA-N
XLogP0.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine (CID 86689818) is 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine is Nc1cc([C@@H]2C[C@@H]2F)[nH]n1.
What is the InChIKey of 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine?
The InChIKey is LMYIQELFORXUQE-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H8FN3/c7-4-1-3(4)5-2-6(8)10-9-5/h2-4H,1H2,(H3,8,9,10)/t3-,4+/m1/s1.
What are the key properties of 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine?
5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine has a molecular weight of 141.15 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 86689818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).