1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid

C12H9N5O3 — CID 71564461

IUPAC1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid
SMILESCc1noc(-c2ccc(-n3ccc(C(=O)O)n3)nc2)n1
InChIInChI=1S/C12H9N5O3/c1-7-14-11(20-16-7)8-2-3-10(13-6-8)17-5-4-9(15-17)12(18)19/h2-6H,1H3,(H,18,19)
InChIKeyGHRMFTUNSAQGNA-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.32
Rot. Bonds3

About 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid (PubChem CID 71564461) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid
PubChem CID71564461
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid
SMILESCc1noc(-c2ccc(-n3ccc(C(=O)O)n3)nc2)n1
InChIInChI=1S/C12H9N5O3/c1-7-14-11(20-16-7)8-2-3-10(13-6-8)17-5-4-9(15-17)12(18)19/h2-6H,1H3,(H,18,19)
InChIKeyGHRMFTUNSAQGNA-UHFFFAOYSA-N
XLogP1.32
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56704880
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 95104472
N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 97104559
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid (CID 71564461) is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid is Cc1noc(-c2ccc(-n3ccc(C(=O)O)n3)nc2)n1.
What is the InChIKey of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid?
The InChIKey is GHRMFTUNSAQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c1-7-14-11(20-16-7)8-2-3-10(13-6-8)17-5-4-9(15-17)12(18)19/h2-6H,1H3,(H,18,19).
What are the key properties of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid?
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 71564461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).