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

C14H15FN4O2 — CID 124892538

IUPAC(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](n3nccn3)C2)cc1F
InChIInChI=1S/C14H15FN4O2/c1-21-13-3-2-10(8-12(13)15)14(20)18-7-4-11(9-18)19-16-5-6-17-19/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1
InChIKeySMZMKUDOQAFVHE-LLVKDONJSA-N
MW290.30 g/mol
LogP1.51
Rot. Bonds3

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

(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124892538) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124892538
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](n3nccn3)C2)cc1F
InChIInChI=1S/C14H15FN4O2/c1-21-13-3-2-10(8-12(13)15)14(20)18-7-4-11(9-18)19-16-5-6-17-19/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1
InChIKeySMZMKUDOQAFVHE-LLVKDONJSA-N
XLogP1.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142298
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone (CID 124892538) is (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CC[C@@H](n3nccn3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SMZMKUDOQAFVHE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-21-13-3-2-10(8-12(13)15)14(20)18-7-4-11(9-18)19-16-5-6-17-19/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 290.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124892538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).