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

C13H15F3N4 — CID 79639889

IUPAC1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)11-4-6-20(19-11)10-3-5-12(7-10,8-17)18-9-1-2-9/h4,6,9-10,18H,1-3,5,7H2
InChIKeyWKMDQHRXUAUXBX-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.64
Rot. Bonds3

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

1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile (PubChem CID 79639889) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
PubChem CID79639889
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)11-4-6-20(19-11)10-3-5-12(7-10,8-17)18-9-1-2-9/h4,6,9-10,18H,1-3,5,7H2
InChIKeyWKMDQHRXUAUXBX-UHFFFAOYSA-N
XLogP2.64
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile (CID 79639889) is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is WKMDQHRXUAUXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)11-4-6-20(19-11)10-3-5-12(7-10,8-17)18-9-1-2-9/h4,6,9-10,18H,1-3,5,7H2.
What are the key properties of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 284.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).