[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine

C9H13F2N3 — CID 84733816

IUPAC[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1C1CCCC1(F)F
InChIInChI=1S/C9H13F2N3/c10-9(11)4-1-2-8(9)14-7(6-12)3-5-13-14/h3,5,8H,1-2,4,6,12H2
InChIKeyCLGHQCYBQUMCRP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.70
Rot. Bonds2

About [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine

[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine (PubChem CID 84733816) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine
PubChem CID84733816
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1C1CCCC1(F)F
InChIInChI=1S/C9H13F2N3/c10-9(11)4-1-2-8(9)14-7(6-12)3-5-13-14/h3,5,8H,1-2,4,6,12H2
InChIKeyCLGHQCYBQUMCRP-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine (CID 84733816) is [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine is NCc1ccnn1C1CCCC1(F)F.
What is the InChIKey of [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine?
The InChIKey is CLGHQCYBQUMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11)4-1-2-8(9)14-7(6-12)3-5-13-14/h3,5,8H,1-2,4,6,12H2.
What are the key properties of [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine?
[2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine has a molecular weight of 201.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluorocyclopentyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 84733816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).