4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine

C16H26F3N3 — CID 97341670

IUPAC4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3/c1-5-12-6-8-13(9-7-12)20-15(16(17,18)19)14-10(2)21-22(4)11(14)3/h12-13,15,20H,5-9H2,1-4H3/t12?,13?,15-/m1/s1
InChIKeyVVUCTHMEWLWGQH-SSDMNJCBSA-N
MW317.40 g/mol
LogP4.20
Rot. Bonds4

About 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine

4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 97341670) has the molecular formula C16H26F3N3 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID97341670
Molecular FormulaC16H26F3N3
Molecular Weight317.40 g/mol
Exact Mass317.21
IUPAC Name4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3/c1-5-12-6-8-13(9-7-12)20-15(16(17,18)19)14-10(2)21-22(4)11(14)3/h12-13,15,20H,5-9H2,1-4H3/t12?,13?,15-/m1/s1
InChIKeyVVUCTHMEWLWGQH-SSDMNJCBSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 97341670) is 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine is CCC1CCC(N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is VVUCTHMEWLWGQH-SSDMNJCBSA-N. The full InChI is InChI=1S/C16H26F3N3/c1-5-12-6-8-13(9-7-12)20-15(16(17,18)19)14-10(2)21-22(4)11(14)3/h12-13,15,20H,5-9H2,1-4H3/t12?,13?,15-/m1/s1.
What are the key properties of 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 317.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 97341670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).