[(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol

C17H23N5O2 — CID 172884077

IUPAC[(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2nnnc2[C@H]2CC[C@@H](CO)N2CC2CC2)cc1
InChIInChI=1S/C17H23N5O2/c1-24-15-7-4-13(5-8-15)22-17(18-19-20-22)16-9-6-14(11-23)21(16)10-12-2-3-12/h4-5,7-8,12,14,16,23H,2-3,6,9-11H2,1H3/t14-,16+/m0/s1
InChIKeyLVTKNLQAEAVPQI-GOEBONIOSA-N
MW329.40 g/mol
LogP1.58
Rot. Bonds6

About [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol

[(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 172884077) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol
PubChem CID172884077
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2nnnc2[C@H]2CC[C@@H](CO)N2CC2CC2)cc1
InChIInChI=1S/C17H23N5O2/c1-24-15-7-4-13(5-8-15)22-17(18-19-20-22)16-9-6-14(11-23)21(16)10-12-2-3-12/h4-5,7-8,12,14,16,23H,2-3,6,9-11H2,1H3/t14-,16+/m0/s1
InChIKeyLVTKNLQAEAVPQI-GOEBONIOSA-N
XLogP1.58
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-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,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 172883867
[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 172883866
N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 2108077
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366586
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2389910
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 82196201
[(2S,5S)-5-(1-butyltetrazol-5-yl)-1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 172883901
3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 3491678
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 713698
5-cyclopropyl-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60564102
[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 125478406

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol (CID 172884077) is [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol is COc1ccc(-n2nnnc2[C@H]2CC[C@@H](CO)N2CC2CC2)cc1.
What is the InChIKey of [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is LVTKNLQAEAVPQI-GOEBONIOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-15-7-4-13(5-8-15)22-17(18-19-20-22)16-9-6-14(11-23)21(16)10-12-2-3-12/h4-5,7-8,12,14,16,23H,2-3,6,9-11H2,1H3/t14-,16+/m0/s1.
What are the key properties of [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol?
[(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 329.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-1-(cyclopropylmethyl)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 172884077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).