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

C11H13F3N4 — CID 79638448

IUPAC1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4/c1-16-10(7-15)4-2-8(6-10)18-5-3-9(17-18)11(12,13)14/h3,5,8,16H,2,4,6H2,1H3
InChIKeyUSFWNTUSLSZWLR-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.11
Rot. Bonds2

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

1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile (PubChem CID 79638448) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
PubChem CID79638448
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4/c1-16-10(7-15)4-2-8(6-10)18-5-3-9(17-18)11(12,13)14/h3,5,8,16H,2,4,6H2,1H3
InChIKeyUSFWNTUSLSZWLR-UHFFFAOYSA-N
XLogP2.11
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile (CID 79638448) is 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile is CNC1(C#N)CCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is USFWNTUSLSZWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-16-10(7-15)4-2-8(6-10)18-5-3-9(17-18)11(12,13)14/h3,5,8,16H,2,4,6H2,1H3.
What are the key properties of 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).