N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline

C19H24F3N5 — CID 3902647

IUPACN-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2(c3nnnn3C3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H24F3N5/c20-19(21,22)14-7-6-8-15(13-14)23-18(11-4-5-12-18)17-24-25-26-27(17)16-9-2-1-3-10-16/h6-8,13,16,23H,1-5,9-12H2
InChIKeyTUXFURGETXJTGB-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline

N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline (PubChem CID 3902647) has the molecular formula C19H24F3N5 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline
PubChem CID3902647
Molecular FormulaC19H24F3N5
Molecular Weight379.43 g/mol
Exact Mass379.20
IUPAC NameN-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2(c3nnnn3C3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H24F3N5/c20-19(21,22)14-7-6-8-15(13-14)23-18(11-4-5-12-18)17-24-25-26-27(17)16-9-2-1-3-10-16/h6-8,13,16,23H,1-5,9-12H2
InChIKeyTUXFURGETXJTGB-UHFFFAOYSA-N
XLogP5.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline (CID 3902647) is N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NC2(c3nnnn3C3CCCCC3)CCCC2)c1.
What is the InChIKey of N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline?
The InChIKey is TUXFURGETXJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5/c20-19(21,22)14-7-6-8-15(13-14)23-18(11-4-5-12-18)17-24-25-26-27(17)16-9-2-1-3-10-16/h6-8,13,16,23H,1-5,9-12H2.
What are the key properties of N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline?
N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline has a molecular weight of 379.43 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexyltetrazol-5-yl)cyclopentyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 3902647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).