5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

C11H13F3N4 — CID 67717841

IUPAC5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(C2CCCCC2)c1N
InChIInChI=1S/C11H13F3N4/c12-11(13,14)9-8(6-15)10(16)18(17-9)7-4-2-1-3-5-7/h7H,1-5,16H2
InChIKeyFZSAPWUKAPTRRK-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.86
Rot. Bonds1

About 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 67717841) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID67717841
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(C2CCCCC2)c1N
InChIInChI=1S/C11H13F3N4/c12-11(13,14)9-8(6-15)10(16)18(17-9)7-4-2-1-3-5-7/h7H,1-5,16H2
InChIKeyFZSAPWUKAPTRRK-UHFFFAOYSA-N
XLogP2.86
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 799242
5-Amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 18993710
5-Amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 19432753
5-Amino-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 22079581
5-Amino-1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 85701622
5-Amino-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100762268
5-Amino-1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763031
5-Amino-1-tert-butyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763218
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
1-Tert-butyl-5-(methylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697474
5-Amino-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697476
5-Amino-1-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697500

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 67717841) is 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)(F)F)nn(C2CCCCC2)c1N.
What is the InChIKey of 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is FZSAPWUKAPTRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)9-8(6-15)10(16)18(17-9)7-4-2-1-3-5-7/h7H,1-5,16H2.
What are the key properties of 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 67717841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).