[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol

C14H18FN5O — CID 172883986

IUPAC[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol
SMILESCn1nnnc1[C@@H]1CC[C@@H](CO)N1Cc1cccc(F)c1
InChIInChI=1S/C14H18FN5O/c1-19-14(16-17-18-19)13-6-5-12(9-21)20(13)8-10-3-2-4-11(15)7-10/h2-4,7,12-13,21H,5-6,8-9H2,1H3/t12-,13-/m0/s1
InChIKeyRXZHNAJZDBAMDQ-STQMWFEESA-N
MW291.33 g/mol
LogP1.05
Rot. Bonds4

About [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol

[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol (PubChem CID 172883986) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol
PubChem CID172883986
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol
SMILESCn1nnnc1[C@@H]1CC[C@@H](CO)N1Cc1cccc(F)c1
InChIInChI=1S/C14H18FN5O/c1-19-14(16-17-18-19)13-6-5-12(9-21)20(13)8-10-3-2-4-11(15)7-10/h2-4,7,12-13,21H,5-6,8-9H2,1H3/t12-,13-/m0/s1
InChIKeyRXZHNAJZDBAMDQ-STQMWFEESA-N
XLogP1.05
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-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-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
CID 172884016
[(2S,5S)-5-(1-butyltetrazol-5-yl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 172883905
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
4-[(3-fluorophenyl)methyl]-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 60502223
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758
[(2R)-1-[3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 110008287
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
3-(3-fluorophenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572725
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 154844051
2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
CID 84758809

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol (CID 172883986) is [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol is Cn1nnnc1[C@@H]1CC[C@@H](CO)N1Cc1cccc(F)c1.
What is the InChIKey of [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
The InChIKey is RXZHNAJZDBAMDQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H18FN5O/c1-19-14(16-17-18-19)13-6-5-12(9-21)20(13)8-10-3-2-4-11(15)7-10/h2-4,7,12-13,21H,5-6,8-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol?
[(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol has a molecular weight of 291.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-1-[(3-fluorophenyl)methyl]-5-(1-methyltetrazol-5-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 172883986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).