1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole

C18H25FN5+ — CID 7125336

IUPAC1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
SMILESFc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1
InChIInChI=1S/C18H24FN5/c19-15-10-8-14(9-11-15)17(23-12-4-5-13-23)18-20-21-22-24(18)16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2/p+1/t17-/m1/s1
InChIKeyZARJHHCDMYLLLQ-QGZVFWFLSA-O
MW330.43 g/mol
LogP2.09
Rot. Bonds4

About 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole

1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole (PubChem CID 7125336) has the molecular formula C18H25FN5+ and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
PubChem CID7125336
Molecular FormulaC18H25FN5+
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
SMILESFc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1
InChIInChI=1S/C18H24FN5/c19-15-10-8-14(9-11-15)17(23-12-4-5-13-23)18-20-21-22-24(18)16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2/p+1/t17-/m1/s1
InChIKeyZARJHHCDMYLLLQ-QGZVFWFLSA-O
XLogP2.09
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
2-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7382959
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382839
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-methylcyclohexanamine
CID 3173829

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole (CID 7125336) is 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole is Fc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole?
The InChIKey is ZARJHHCDMYLLLQ-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H24FN5/c19-15-10-8-14(9-11-15)17(23-12-4-5-13-23)18-20-21-22-24(18)16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2/p+1/t17-/m1/s1.
What are the key properties of 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole?
1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole has a molecular weight of 330.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole is sourced from PubChem (CID 7125336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).