N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N3 — CID 65197463

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nn(C)cc1C(C)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-9(13-8-20(3)19-10(13)2)18-12-6-4-5-11(7-12)14(15,16)17/h8-9,11-12,18H,4-7H2,1-3H3
InChIKeyDJIUMYADTZFQJC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.50
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65197463) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65197463
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nn(C)cc1C(C)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-9(13-8-20(3)19-10(13)2)18-12-6-4-5-11(7-12)14(15,16)17/h8-9,11-12,18H,4-7H2,1-3H3
InChIKeyDJIUMYADTZFQJC-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 65197237
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
CID 65197375
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 65196831
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-ethylpiperidin-4-amine
CID 65197175
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262260
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65196991
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 65197463) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1nn(C)cc1C(C)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DJIUMYADTZFQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-9(13-8-20(3)19-10(13)2)18-12-6-4-5-11(7-12)14(15,16)17/h8-9,11-12,18H,4-7H2,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65197463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).