1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine

C11H16F3N3 — CID 157041969

IUPAC1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1CC1CCCCC1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-6-10(15)17(16-9)7-8-4-2-1-3-5-8/h6,8H,1-5,7,15H2
InChIKeyBZHCTOSRLUUHCB-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.06
Rot. Bonds2

About 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine

1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 157041969) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID157041969
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1CC1CCCCC1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-6-10(15)17(16-9)7-8-4-2-1-3-5-8/h6,8H,1-5,7,15H2
InChIKeyBZHCTOSRLUUHCB-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 157041969) is 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine is Nc1cc(C(F)(F)F)nn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BZHCTOSRLUUHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)9-6-10(15)17(16-9)7-8-4-2-1-3-5-8/h6,8H,1-5,7,15H2.
What are the key properties of 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 247.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 157041969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).