1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile

C12H15F3N4 — CID 79638333

IUPAC1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N4/c1-2-17-11(8-16)5-3-9(7-11)19-6-4-10(18-19)12(13,14)15/h4,6,9,17H,2-3,5,7H2,1H3
InChIKeyVEJHGELLIILDKU-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.50
Rot. Bonds3

About 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile (PubChem CID 79638333) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
PubChem CID79638333
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N4/c1-2-17-11(8-16)5-3-9(7-11)19-6-4-10(18-19)12(13,14)15/h4,6,9,17H,2-3,5,7H2,1H3
InChIKeyVEJHGELLIILDKU-UHFFFAOYSA-N
XLogP2.50
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile (CID 79638333) is 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is VEJHGELLIILDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-2-17-11(8-16)5-3-9(7-11)19-6-4-10(18-19)12(13,14)15/h4,6,9,17H,2-3,5,7H2,1H3.
What are the key properties of 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 272.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).