(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide

C13H13FN6O2 — CID 124879260

IUPAC(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C13H13FN6O2/c14-10-3-1-2-8(4-10)6-20-7-9(5-11(20)21)12(22)15-13-16-18-19-17-13/h1-4,9H,5-7H2,(H2,15,16,17,18,19,22)/t9-/m1/s1
InChIKeyRFZBWYGNCUWQJS-SECBINFHSA-N
MW304.29 g/mol
LogP0.33
Rot. Bonds4

About (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide

(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 124879260) has the molecular formula C13H13FN6O2 and a molecular weight of 304.29 g/mol. Its IUPAC name is (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID124879260
Molecular FormulaC13H13FN6O2
Molecular Weight304.29 g/mol
Exact Mass304.11
IUPAC Name(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C13H13FN6O2/c14-10-3-1-2-8(4-10)6-20-7-9(5-11(20)21)12(22)15-13-16-18-19-17-13/h1-4,9H,5-7H2,(H2,15,16,17,18,19,22)/t9-/m1/s1
InChIKeyRFZBWYGNCUWQJS-SECBINFHSA-N
XLogP0.33
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 92628068
(3R)-1-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017753
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 110204117
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 86207016
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
1-[(4-fluorophenyl)methyl]-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 42655677
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide (CID 124879260) is (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1nn[nH]n1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is RFZBWYGNCUWQJS-SECBINFHSA-N. The full InChI is InChI=1S/C13H13FN6O2/c14-10-3-1-2-8(4-10)6-20-7-9(5-11(20)21)12(22)15-13-16-18-19-17-13/h1-4,9H,5-7H2,(H2,15,16,17,18,19,22)/t9-/m1/s1.
What are the key properties of (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide?
(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 304.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124879260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).