1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine

C11H17ClF3N3 — CID 113470313

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C11H17ClF3N3/c1-7-9(10(12)18(3)17-7)6-8(16-2)4-5-11(13,14)15/h8,16H,4-6H2,1-3H3
InChIKeyGMMSTTROZFWBMM-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.85
Rot. Bonds5

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 113470313) has the molecular formula C11H17ClF3N3 and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID113470313
Molecular FormulaC11H17ClF3N3
Molecular Weight283.73 g/mol
Exact Mass283.11
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C11H17ClF3N3/c1-7-9(10(12)18(3)17-7)6-8(16-2)4-5-11(13,14)15/h8,16H,4-6H2,1-3H3
InChIKeyGMMSTTROZFWBMM-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105156384
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylpent-4-en-2-amine
CID 116660558
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151456
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105180377
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105034892
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethoxy)-N-methylpropan-2-amine
CID 114032974
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105035142
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-N-methylpentan-2-amine
CID 105035069
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760899
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477685

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine (CID 113470313) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine is CNC(CCC(F)(F)F)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is GMMSTTROZFWBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3N3/c1-7-9(10(12)18(3)17-7)6-8(16-2)4-5-11(13,14)15/h8,16H,4-6H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 283.73 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 113470313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).