N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

C8H10F3N3 — CID 83861626

IUPACN-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCNC1CCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C8H10F3N3/c1-12-4-2-3-5-6(4)7(14-13-5)8(9,10)11/h4,12H,2-3H2,1H3,(H,13,14)
InChIKeyJZNNRWCEWJOWHE-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.64
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (PubChem CID 83861626) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
PubChem CID83861626
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCNC1CCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C8H10F3N3/c1-12-4-2-3-5-6(4)7(14-13-5)8(9,10)11/h4,12H,2-3H2,1H3,(H,13,14)
InChIKeyJZNNRWCEWJOWHE-UHFFFAOYSA-N
XLogP1.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (CID 83861626) is N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is CNC1CCc2[nH]nc(C(F)(F)F)c21.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The InChIKey is JZNNRWCEWJOWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-12-4-2-3-5-6(4)7(14-13-5)8(9,10)11/h4,12H,2-3H2,1H3,(H,13,14).
What are the key properties of N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine has a molecular weight of 205.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is sourced from PubChem (CID 83861626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).