5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine

C10H16F3N3 — CID 105174485

IUPAC5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccnn1C
InChIInChI=1S/C10H16F3N3/c1-14-8(4-3-6-10(11,12)13)9-5-7-15-16(9)2/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyDUDXRBDVGCGYFW-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.41
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine (PubChem CID 105174485) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
PubChem CID105174485
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccnn1C
InChIInChI=1S/C10H16F3N3/c1-14-8(4-3-6-10(11,12)13)9-5-7-15-16(9)2/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyDUDXRBDVGCGYFW-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 115516928
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178
N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 105112715
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 106692847
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine (CID 105174485) is 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine is CNC(CCCC(F)(F)F)c1ccnn1C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine?
The InChIKey is DUDXRBDVGCGYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-14-8(4-3-6-10(11,12)13)9-5-7-15-16(9)2/h5,7-8,14H,3-4,6H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine is sourced from PubChem (CID 105174485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).