[2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine

C9H14FN3 — CID 84732528

IUPAC[2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1C1CCCC1F
InChIInChI=1S/C9H14FN3/c10-8-2-1-3-9(8)13-7(6-11)4-5-12-13/h4-5,8-9H,1-3,6,11H2
InChIKeyYQVVOPCOJYNCDM-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.40
Rot. Bonds2

About [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine

[2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine (PubChem CID 84732528) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine
PubChem CID84732528
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name[2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1C1CCCC1F
InChIInChI=1S/C9H14FN3/c10-8-2-1-3-9(8)13-7(6-11)4-5-12-13/h4-5,8-9H,1-3,6,11H2
InChIKeyYQVVOPCOJYNCDM-UHFFFAOYSA-N
XLogP1.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine (CID 84732528) is [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine is NCc1ccnn1C1CCCC1F.
What is the InChIKey of [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine?
The InChIKey is YQVVOPCOJYNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-8-2-1-3-9(8)13-7(6-11)4-5-12-13/h4-5,8-9H,1-3,6,11H2.
What are the key properties of [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine?
[2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine has a molecular weight of 183.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorocyclopentyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 84732528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).