2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid

C10H16N2O2S — CID 64771244

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid
SMILESCC(SCc1ccn(C(C)C)n1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-7(2)12-5-4-9(11-12)6-15-8(3)10(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMMZQZPOIUJCHQL-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.17
Rot. Bonds5

About 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid

2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid (PubChem CID 64771244) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid
PubChem CID64771244
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid
SMILESCC(SCc1ccn(C(C)C)n1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-7(2)12-5-4-9(11-12)6-15-8(3)10(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMMZQZPOIUJCHQL-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]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

2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577
2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 64771602
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219953
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
3-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 79133399
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221
2-[(4-chlorophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64771687
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxane-4-carboxylic acid
CID 64773303
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid (CID 64771244) is 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid is CC(SCc1ccn(C(C)C)n1)C(=O)O.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid?
The InChIKey is MMZQZPOIUJCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)12-5-4-9(11-12)6-15-8(3)10(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid?
2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 64771244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).