(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid

C10H16N2O2 — CID 107427777

IUPAC(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
SMILESCCc1cc(CC)n([C@H](C)C(=O)O)n1
InChIInChI=1S/C10H16N2O2/c1-4-8-6-9(5-2)12(11-8)7(3)10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyFRSWLJOQZBSGOB-SSDOTTSWSA-N
MW196.25 g/mol
LogP1.65
Rot. Bonds4

About (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid

(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid (PubChem CID 107427777) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
PubChem CID107427777
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
SMILESCCc1cc(CC)n([C@H](C)C(=O)O)n1
InChIInChI=1S/C10H16N2O2/c1-4-8-6-9(5-2)12(11-8)7(3)10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyFRSWLJOQZBSGOB-SSDOTTSWSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 82693837
3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
CID 105482258
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
CID 105450054
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66120183
4-(1,3-diethylpyrazol-5-yl)-2-methylbutanoic acid
CID 81007921
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
3,5-diethylpyrazole-1-carboxamide
CID 91622965
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid (CID 107427777) is (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid is CCc1cc(CC)n([C@H](C)C(=O)O)n1.
What is the InChIKey of (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid?
The InChIKey is FRSWLJOQZBSGOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-8-6-9(5-2)12(11-8)7(3)10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid?
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 107427777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).