[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol

C16H21N5O — CID 172884016

IUPAC[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](c2nnnn2C2CC2)N1Cc1ccccc1
InChIInChI=1S/C16H21N5O/c22-11-14-8-9-15(16-17-18-19-21(16)13-6-7-13)20(14)10-12-4-2-1-3-5-12/h1-5,13-15,22H,6-11H2/t14-,15-/m0/s1
InChIKeyRXZYYVNLSRPSMF-GJZGRUSLSA-N
MW299.38 g/mol
LogP1.71
Rot. Bonds5

About [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol

[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol (PubChem CID 172884016) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
PubChem CID172884016
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@@H](c2nnnn2C2CC2)N1Cc1ccccc1
InChIInChI=1S/C16H21N5O/c22-11-14-8-9-15(16-17-18-19-21(16)13-6-7-13)20(14)10-12-4-2-1-3-5-12/h1-5,13-15,22H,6-11H2/t14-,15-/m0/s1
InChIKeyRXZYYVNLSRPSMF-GJZGRUSLSA-N
XLogP1.71
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 172884070
[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol
CID 172883986
[(2S,5S)-5-(1-butyltetrazol-5-yl)-1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 172883901
[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
CID 172883875
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 172884163
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 164554356
[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
CID 163511125
[(2S,5R)-5-(1-benzyltetrazol-5-yl)pyrrolidin-2-yl]methanol
CID 172884074
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
N-benzyl-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenylmethanamine
CID 86922330

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol (CID 172884016) is [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CC[C@@H](c2nnnn2C2CC2)N1Cc1ccccc1.
What is the InChIKey of [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The InChIKey is RXZYYVNLSRPSMF-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21N5O/c22-11-14-8-9-15(16-17-18-19-21(16)13-6-7-13)20(14)10-12-4-2-1-3-5-12/h1-5,13-15,22H,6-11H2/t14-,15-/m0/s1.
What are the key properties of [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol has a molecular weight of 299.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 172884016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).