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

C20H22FN5O — CID 172884070

IUPAC[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2nnnn2Cc2ccccc2)N1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN5O/c21-17-8-4-7-16(11-17)12-25-18(14-27)9-10-19(25)20-22-23-24-26(20)13-15-5-2-1-3-6-15/h1-8,11,18-19,27H,9-10,12-14H2/t18-,19+/m0/s1
InChIKeyNTISXZBQGOWEOP-RBUKOAKNSA-N
MW367.43 g/mol
LogP2.56
Rot. Bonds6

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

[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 172884070) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID172884070
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](c2nnnn2Cc2ccccc2)N1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN5O/c21-17-8-4-7-16(11-17)12-25-18(14-27)9-10-19(25)20-22-23-24-26(20)13-15-5-2-1-3-6-15/h1-8,11,18-19,27H,9-10,12-14H2/t18-,19+/m0/s1
InChIKeyNTISXZBQGOWEOP-RBUKOAKNSA-N
XLogP2.56
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 172884070) is [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CC[C@H](c2nnnn2Cc2ccccc2)N1Cc1cccc(F)c1.
What is the InChIKey of [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is NTISXZBQGOWEOP-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-17-8-4-7-16(11-17)12-25-18(14-27)9-10-19(25)20-22-23-24-26(20)13-15-5-2-1-3-6-15/h1-8,11,18-19,27H,9-10,12-14H2/t18-,19+/m0/s1.
What are the key properties of [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 367.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 172884070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).