1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid

C9H11N3O3 — CID 131052375

IUPAC1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
SMILESCn1nccc1C(=O)N1CCC1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-11-6(2-4-10-11)8(13)12-5-3-7(12)9(14)15/h2,4,7H,3,5H2,1H3,(H,14,15)
InChIKeyJXVJYYQFLFWWQR-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.28
Rot. Bonds2

About 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid

1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid (PubChem CID 131052375) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
PubChem CID131052375
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
SMILESCn1nccc1C(=O)N1CCC1C(=O)O
InChIInChI=1S/C9H11N3O3/c1-11-6(2-4-10-11)8(13)12-5-3-7(12)9(14)15/h2,4,7H,3,5H2,1H3,(H,14,15)
InChIKeyJXVJYYQFLFWWQR-UHFFFAOYSA-N
XLogP-0.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 102786708
(3S)-8-(cyclopropanecarbonyl)-2-(2-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869962
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119632620
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95596963

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid (CID 131052375) is 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid is Cn1nccc1C(=O)N1CCC1C(=O)O.
What is the InChIKey of 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid?
The InChIKey is JXVJYYQFLFWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-11-6(2-4-10-11)8(13)12-5-3-7(12)9(14)15/h2,4,7H,3,5H2,1H3,(H,14,15).
What are the key properties of 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid?
1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 131052375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).