(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone

C13H13FN4O — CID 124759378

IUPAC(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[C@@H](n2nccn2)C1
InChIInChI=1S/C13H13FN4O/c14-11-3-1-10(2-4-11)13(19)17-8-5-12(9-17)18-15-6-7-16-18/h1-4,6-7,12H,5,8-9H2/t12-/m1/s1
InChIKeyDNHURCFJJOTCJU-GFCCVEGCSA-N
MW260.27 g/mol
LogP1.50
Rot. Bonds2

About (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124759378) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124759378
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[C@@H](n2nccn2)C1
InChIInChI=1S/C13H13FN4O/c14-11-3-1-10(2-4-11)13(19)17-8-5-12(9-17)18-15-6-7-16-18/h1-4,6-7,12H,5,8-9H2/t12-/m1/s1
InChIKeyDNHURCFJJOTCJU-GFCCVEGCSA-N
XLogP1.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892538
[4-(2-methoxyethoxy)phenyl]-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124891782
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178515
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267
(4-fluorophenyl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 72717817

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone (CID 124759378) is (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC[C@@H](n2nccn2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DNHURCFJJOTCJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-11-3-1-10(2-4-11)13(19)17-8-5-12(9-17)18-15-6-7-16-18/h1-4,6-7,12H,5,8-9H2/t12-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 260.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124759378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).