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

C14H17F3N4 — CID 79627747

IUPAC1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)12-5-7-21(20-12)11-2-1-6-13(8-11,9-18)19-10-3-4-10/h5,7,10-11,19H,1-4,6,8H2
InChIKeyUNCRYHMFQWQZKZ-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.03
Rot. Bonds3

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

1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile (PubChem CID 79627747) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile
PubChem CID79627747
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)12-5-7-21(20-12)11-2-1-6-13(8-11,9-18)19-10-3-4-10/h5,7,10-11,19H,1-4,6,8H2
InChIKeyUNCRYHMFQWQZKZ-UHFFFAOYSA-N
XLogP3.03
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.03
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]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile (CID 79627747) is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile is N#CC1(NC2CC2)CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is UNCRYHMFQWQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c15-14(16,17)12-5-7-21(20-12)11-2-1-6-13(8-11,9-18)19-10-3-4-10/h5,7,10-11,19H,1-4,6,8H2.
What are the key properties of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 3.03, 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]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79627747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).