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

C10H16F3N3 — CID 115516928

IUPAC5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccn(C)n1
InChIInChI=1S/C10H16F3N3/c1-14-8(4-3-6-10(11,12)13)9-5-7-16(2)15-9/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyTUEMBCNXRLRPSJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.41
Rot. Bonds5

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

5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine (PubChem CID 115516928) 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-(1-methylpyrazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
PubChem CID115516928
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccn(C)n1
InChIInChI=1S/C10H16F3N3/c1-14-8(4-3-6-10(11,12)13)9-5-7-16(2)15-9/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyTUEMBCNXRLRPSJ-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

N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418
N-methyl-1-(1-methylpyrazol-3-yl)oct-7-en-1-amine
CID 107009195
4-methoxy-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 103134404
N,N',N'-trimethyl-1-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103131116
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine
CID 115517484
N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475642
5,5,5-trifluoro-N-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105174275
1-(1-methylpyrazol-3-yl)pentylhydrazine
CID 105228546
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine (CID 115516928) is 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine is CNC(CCCC(F)(F)F)c1ccn(C)n1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine?
The InChIKey is TUEMBCNXRLRPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-14-8(4-3-6-10(11,12)13)9-5-7-16(2)15-9/h5,7-8,14H,3-4,6H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(1-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-(1-methylpyrazol-3-yl)pentan-1-amine is sourced from PubChem (CID 115516928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).