(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 124610502

IUPAC(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C13H19N3O3/c1-8-6-9(2)16(14-8)10(3)12(17)15-5-4-11(7-15)13(18)19/h6,10-11H,4-5,7H2,1-3H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyMPXPJRGHDFFVFM-GHMZBOCLSA-N
MW265.31 g/mol
LogP0.99
Rot. Bonds3

About (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 124610502) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID124610502
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C13H19N3O3/c1-8-6-9(2)16(14-8)10(3)12(17)15-5-4-11(7-15)13(18)19/h6,10-11H,4-5,7H2,1-3H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyMPXPJRGHDFFVFM-GHMZBOCLSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110906659
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide
CID 49416745
1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 55149512
2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 47986482
1-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117799
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 86285634
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 56785284
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 95905565
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 97211641
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 47988003
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619
2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
CID 56877518

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 124610502) is (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MPXPJRGHDFFVFM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-6-9(2)16(14-8)10(3)12(17)15-5-4-11(7-15)13(18)19/h6,10-11H,4-5,7H2,1-3H3,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).