(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone

C14H17N5O2 — CID 166269968

IUPAC(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(O)c(C(=O)N2CCC(Cc3nn[nH]n3)C2)c1
InChIInChI=1S/C14H17N5O2/c1-9-2-3-12(20)11(6-9)14(21)19-5-4-10(8-19)7-13-15-17-18-16-13/h2-3,6,10,20H,4-5,7-8H2,1H3,(H,15,16,17,18)
InChIKeyJGORNAWTWHTZAR-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.92
Rot. Bonds3

About (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone

(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 166269968) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID166269968
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(O)c(C(=O)N2CCC(Cc3nn[nH]n3)C2)c1
InChIInChI=1S/C14H17N5O2/c1-9-2-3-12(20)11(6-9)14(21)19-5-4-10(8-19)7-13-15-17-18-16-13/h2-3,6,10,20H,4-5,7-8H2,1H3,(H,15,16,17,18)
InChIKeyJGORNAWTWHTZAR-UHFFFAOYSA-N
XLogP0.92
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
CID 62079849
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone
CID 167876282
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 166279880

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone (CID 166269968) is (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone is Cc1ccc(O)c(C(=O)N2CCC(Cc3nn[nH]n3)C2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JGORNAWTWHTZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-2-3-12(20)11(6-9)14(21)19-5-4-10(8-19)7-13-15-17-18-16-13/h2-3,6,10,20H,4-5,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone?
(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166269968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).