N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C12H17F4N3 — CID 106292284

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H17F4N3/c13-11(14)12(15,16)8-17-7-9-5-6-19(18-9)10-3-1-2-4-10/h5-6,10-11,17H,1-4,7-8H2
InChIKeyVEQPBBIHHQMSTD-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.99
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106292284) has the molecular formula C12H17F4N3 and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106292284
Molecular FormulaC12H17F4N3
Molecular Weight279.28 g/mol
Exact Mass279.14
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H17F4N3/c13-11(14)12(15,16)8-17-7-9-5-6-19(18-9)10-3-1-2-4-10/h5-6,10-11,17H,1-4,7-8H2
InChIKeyVEQPBBIHHQMSTD-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106292284) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is VEQPBBIHHQMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3/c13-11(14)12(15,16)8-17-7-9-5-6-19(18-9)10-3-1-2-4-10/h5-6,10-11,17H,1-4,7-8H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 279.28 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106292284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).