[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol

C14H19N5O2 — CID 128970681

IUPAC[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C14H19N5O2/c1-21-13-7-12(10-20)18(8-13)9-14-15-16-17-19(14)11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyPYQOUHXZFNDFIO-QWHCGFSZSA-N
MW289.34 g/mol
LogP0.24
Rot. Bonds5

About [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 128970681) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID128970681
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C14H19N5O2/c1-21-13-7-12(10-20)18(8-13)9-14-15-16-17-19(14)11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyPYQOUHXZFNDFIO-QWHCGFSZSA-N
XLogP0.24
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]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

5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 128982309
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 167800041
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 95332993
3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
CID 128971410
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026060
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
3-ethoxy-7-[(1-phenyltetrazol-5-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457359

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol (CID 128970681) is [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(Cc2nnnn2-c2ccccc2)C1.
What is the InChIKey of [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PYQOUHXZFNDFIO-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-13-7-12(10-20)18(8-13)9-14-15-16-17-19(14)11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 289.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128970681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).