(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid

C12H17N3O3 — CID 97274134

IUPAC(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
SMILESCCCn1ncc(C(=O)N2CC[C@@H]2C(=O)O)c1C
InChIInChI=1S/C12H17N3O3/c1-3-5-15-8(2)9(7-13-15)11(16)14-6-4-10(14)12(17)18/h7,10H,3-6H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyACKHZFMVWCQNFM-SNVBAGLBSA-N
MW251.29 g/mol
LogP0.90
Rot. Bonds4

About (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid

(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid (PubChem CID 97274134) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
PubChem CID97274134
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
SMILESCCCn1ncc(C(=O)N2CC[C@@H]2C(=O)O)c1C
InChIInChI=1S/C12H17N3O3/c1-3-5-15-8(2)9(7-13-15)11(16)14-6-4-10(14)12(17)18/h7,10H,3-6H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyACKHZFMVWCQNFM-SNVBAGLBSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 133112425
3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 156604623
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72887191
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120514993
[2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 110226329
(2S,3S)-1-(1-butyl-5-methylpyrazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116845
[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97118791
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 70732049
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72866375

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid (CID 97274134) is (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid is CCCn1ncc(C(=O)N2CC[C@@H]2C(=O)O)c1C.
What is the InChIKey of (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid?
The InChIKey is ACKHZFMVWCQNFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-5-15-8(2)9(7-13-15)11(16)14-6-4-10(14)12(17)18/h7,10H,3-6H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid?
(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 97274134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).