(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

C12H19N3O2 — CID 28844021

IUPAC(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-8-10(9(2)14(3)13-8)7-15-6-4-5-11(15)12(16)17/h11H,4-7H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyZZZWSBJVMAQWMC-NSHDSACASA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds3

About (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 28844021) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID28844021
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-8-10(9(2)14(3)13-8)7-15-6-4-5-11(15)12(16)17/h11H,4-7H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyZZZWSBJVMAQWMC-NSHDSACASA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
CID 82538019
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
2-methyl-2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 83199001
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119909283
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844042
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 104862078
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
2-[3-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-2-yl]acetic acid
CID 65071207
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
ethyl 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 25247693
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (CID 28844021) is (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1nn(C)c(C)c1CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZZZWSBJVMAQWMC-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(9(2)14(3)13-8)7-15-6-4-5-11(15)12(16)17/h11H,4-7H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28844021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).