5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole

C26H28N4 — CID 159923750

IUPAC5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
SMILESC[C@@H](C[C@@H]1CCC[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H28N4/c1-18(24-14-6-9-20-8-2-3-13-25(20)24)15-19-7-4-10-21(16-19)22-11-5-12-23(17-22)26-27-29-30-28-26/h2-3,5-6,8-9,11-14,17-19,21H,4,7,10,15-16H2,1H3,(H,27,28,29,30)/t18-,19-,21+/m0/s1
InChIKeyNYTAOPYEHNZENQ-IRFCIJBXSA-N
MW396.54 g/mol
LogP6.49
Rot. Bonds5

About 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole

5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole (PubChem CID 159923750) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
PubChem CID159923750
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
SMILESC[C@@H](C[C@@H]1CCC[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H28N4/c1-18(24-14-6-9-20-8-2-3-13-25(20)24)15-19-7-4-10-21(16-19)22-11-5-12-23(17-22)26-27-29-30-28-26/h2-3,5-6,8-9,11-14,17-19,21H,4,7,10,15-16H2,1H3,(H,27,28,29,30)/t18-,19-,21+/m0/s1
InChIKeyNYTAOPYEHNZENQ-IRFCIJBXSA-N
XLogP6.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole with MolForge

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 46181107
cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 67296278
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
2-methyl-2-[3-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 157186963
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
CID 153234852
4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
CID 149010744
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
N-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]naphthalen-1-amine
CID 66965266
cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
CID 88918861
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole (CID 159923750) is 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole is C[C@@H](C[C@@H]1CCC[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cccc2ccccc12.
What is the InChIKey of 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole?
The InChIKey is NYTAOPYEHNZENQ-IRFCIJBXSA-N. The full InChI is InChI=1S/C26H28N4/c1-18(24-14-6-9-20-8-2-3-13-25(20)24)15-19-7-4-10-21(16-19)22-11-5-12-23(17-22)26-27-29-30-28-26/h2-3,5-6,8-9,11-14,17-19,21H,4,7,10,15-16H2,1H3,(H,27,28,29,30)/t18-,19-,21+/m0/s1.
What are the key properties of 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole?
5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole has a molecular weight of 396.54 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 159923750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).