N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine

C13H20F3N3 — CID 103904022

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H20F3N3/c1-10(8-13(14,15)16)17-9-11-6-7-19(18-11)12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3
InChIKeySKOZYMYYPCWIIT-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.43
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 103904022) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID103904022
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCC(CC(F)(F)F)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H20F3N3/c1-10(8-13(14,15)16)17-9-11-6-7-19(18-11)12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3
InChIKeySKOZYMYYPCWIIT-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine (CID 103904022) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine is CC(CC(F)(F)F)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is SKOZYMYYPCWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(8-13(14,15)16)17-9-11-6-7-19(18-11)12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 275.32 g/mol, XLogP of 3.43, 5 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]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 103904022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).