2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid

C12H17N3O3 — CID 61370491

IUPAC2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-11(8(2)14-13-7)12(18)15-5-3-4-9(15)6-10(16)17/h9H,3-6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyHELVGEMFSNRPDG-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.11
Rot. Bonds3

About 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370491) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370491
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-11(8(2)14-13-7)12(18)15-5-3-4-9(15)6-10(16)17/h9H,3-6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyHELVGEMFSNRPDG-UHFFFAOYSA-N
XLogP1.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 102679145
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
2-[1-(2,4,5-trimethylfuran-3-carbonyl)piperidin-2-yl]acetic acid
CID 61009564
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 112622199
2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925665
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79802677
(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755254
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205635
1-[1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540858
2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 54945892

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61370491) is 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid is Cc1n[nH]c(C)c1C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is HELVGEMFSNRPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-11(8(2)14-13-7)12(18)15-5-3-4-9(15)6-10(16)17/h9H,3-6H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).