1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid

C11H17N3O2 — CID 82538019

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1N1CCCC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7-10(8(2)13(3)12-7)14-6-4-5-9(14)11(15)16/h9H,4-6H2,1-3H3,(H,15,16)
InChIKeyPIJMVFKQPIRADI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.09
Rot. Bonds2

About 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid

1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 82538019) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID82538019
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1N1CCCC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7-10(8(2)13(3)12-7)14-6-4-5-9(14)11(15)16/h9H,4-6H2,1-3H3,(H,15,16)
InChIKeyPIJMVFKQPIRADI-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylic acid
CID 63758170
(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372128
1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
CID 119175927
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543
(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122051780
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid (CID 82538019) is 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid is Cc1nn(C)c(C)c1N1CCCC1C(=O)O.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PIJMVFKQPIRADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(8(2)13(3)12-7)14-6-4-5-9(14)11(15)16/h9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82538019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).