1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole

C19H27N5O — CID 7436524

IUPAC1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
SMILESCOc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCCC1
InChIInChI=1S/C19H27N5O/c1-25-17-12-6-5-11-16(17)18(23-13-7-8-14-23)19-20-21-22-24(19)15-9-3-2-4-10-15/h5-6,11-12,15,18H,2-4,7-10,13-14H2,1H3/t18-/m0/s1
InChIKeyWPGBDVAPOKIDRU-SFHVURJKSA-N
MW341.46 g/mol
LogP3.37
Rot. Bonds5

About 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole

1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole (PubChem CID 7436524) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
PubChem CID7436524
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
SMILESCOc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCCC1
InChIInChI=1S/C19H27N5O/c1-25-17-12-6-5-11-16(17)18(23-13-7-8-14-23)19-20-21-22-24(19)15-9-3-2-4-10-15/h5-6,11-12,15,18H,2-4,7-10,13-14H2,1H3/t18-/m0/s1
InChIKeyWPGBDVAPOKIDRU-SFHVURJKSA-N
XLogP3.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
CID 3201608
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
3-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 651127
3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160665

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole (CID 7436524) is 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole is COc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCCC1.
What is the InChIKey of 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole?
The InChIKey is WPGBDVAPOKIDRU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-25-17-12-6-5-11-16(17)18(23-13-7-8-14-23)19-20-21-22-24(19)15-9-3-2-4-10-15/h5-6,11-12,15,18H,2-4,7-10,13-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole?
1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole has a molecular weight of 341.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole is sourced from PubChem (CID 7436524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).