4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid

C10H15N3O2 — CID 114557609

IUPAC4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCn1nccc1C1CNCC1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-2-13-9(3-4-12-13)7-5-11-6-8(7)10(14)15/h3-4,7-8,11H,2,5-6H2,1H3,(H,14,15)
InChIKeyOSPWNDJAOWBFCY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds3

About 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid

4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 114557609) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID114557609
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCn1nccc1C1CNCC1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-2-13-9(3-4-12-13)7-5-11-6-8(7)10(14)15/h3-4,7-8,11H,2,5-6H2,1H3,(H,14,15)
InChIKeyOSPWNDJAOWBFCY-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021302
3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-ol
CID 64908798
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 114557623
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129369635
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114557644
4-(furan-2-yl)pyrrolidine-3-carboxylic acid
CID 53398418
4-propyl-2-(2-propylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021224
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129494056

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid (CID 114557609) is 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid is CCn1nccc1C1CNCC1C(=O)O.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OSPWNDJAOWBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-13-9(3-4-12-13)7-5-11-6-8(7)10(14)15/h3-4,7-8,11H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114557609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).