(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid

C13H19N3O3 — CID 119371130

IUPAC(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)n[nH]1
InChIInChI=1S/C13H19N3O3/c1-8(2)6-9-7-10(15-14-9)12(17)16-5-3-4-11(16)13(18)19/h7-8,11H,3-6H2,1-2H3,(H,14,15)(H,18,19)/t11-/m1/s1
InChIKeyVUISSGCJWLSFEF-LLVKDONJSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371130) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119371130
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)n[nH]1
InChIInChI=1S/C13H19N3O3/c1-8(2)6-9-7-10(15-14-9)12(17)16-5-3-4-11(16)13(18)19/h7-8,11H,3-6H2,1-2H3,(H,14,15)(H,18,19)/t11-/m1/s1
InChIKeyVUISSGCJWLSFEF-LLVKDONJSA-N
XLogP1.30
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 95351418
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
(2R)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371872
[5-(5-fluoro-1H-pyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 166380867
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603251
1-[(1S,5R)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 74240802
4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216376
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356399
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 135104131
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 50970821

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119371130) is (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid is CC(C)Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)n[nH]1.
What is the InChIKey of (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VUISSGCJWLSFEF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)6-9-7-10(15-14-9)12(17)16-5-3-4-11(16)13(18)19/h7-8,11H,3-6H2,1-2H3,(H,14,15)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).