1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine

C13H22F3N3 — CID 79964323

IUPAC1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1cc(C)nn1C
InChIInChI=1S/C13H22F3N3/c1-4-7-17-11(5-6-13(14,15)16)9-12-8-10(2)18-19(12)3/h8,11,17H,4-7,9H2,1-3H3
InChIKeyQUBJYXHJIRPWMV-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.98
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 79964323) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID79964323
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1cc(C)nn1C
InChIInChI=1S/C13H22F3N3/c1-4-7-17-11(5-6-13(14,15)16)9-12-8-10(2)18-19(12)3/h8,11,17H,4-7,9H2,1-3H3
InChIKeyQUBJYXHJIRPWMV-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105158603
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
CID 79064110
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
CID 104996074
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959281
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 79964323) is 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is QUBJYXHJIRPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-4-7-17-11(5-6-13(14,15)16)9-12-8-10(2)18-19(12)3/h8,11,17H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 277.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 79964323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).