[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol

C17H29N5O — CID 172883875

IUPAC[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](c2nnnn2C2CCCCC2)N1C1CCCC1
InChIInChI=1S/C17H29N5O/c23-12-15-10-11-16(21(15)13-6-4-5-7-13)17-18-19-20-22(17)14-8-2-1-3-9-14/h13-16,23H,1-12H2/t15-,16-/m0/s1
InChIKeyPTDPTYZOKBKNBY-HOTGVXAUSA-N
MW319.45 g/mol
LogP2.62
Rot. Bonds4

About [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol

[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol (PubChem CID 172883875) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
PubChem CID172883875
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](c2nnnn2C2CCCCC2)N1C1CCCC1
InChIInChI=1S/C17H29N5O/c23-12-15-10-11-16(21(15)13-6-4-5-7-13)17-18-19-20-22(17)14-8-2-1-3-9-14/h13-16,23H,1-12H2/t15-,16-/m0/s1
InChIKeyPTDPTYZOKBKNBY-HOTGVXAUSA-N
XLogP2.62
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
CID 172884093
cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 172884163
[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
CID 172884016
1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708
[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 172884146
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
CID 82228405
1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
CID 7125273
1-cyclopentyltetrazole-5-carbaldehyde
CID 83873473
(3aR,4R,7S,7aS)-4-(1-cyclohexyltetrazol-5-yl)-2,2-dimethyl-5-[(1S)-1-phenylethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
CID 177469236

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol (CID 172883875) is [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol is OC[C@@H]1CC[C@@H](c2nnnn2C2CCCCC2)N1C1CCCC1.
What is the InChIKey of [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol?
The InChIKey is PTDPTYZOKBKNBY-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H29N5O/c23-12-15-10-11-16(21(15)13-6-4-5-7-13)17-18-19-20-22(17)14-8-2-1-3-9-14/h13-16,23H,1-12H2/t15-,16-/m0/s1.
What are the key properties of [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol?
[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol has a molecular weight of 319.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 172883875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).