2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid

C11H18N2O2S — CID 62408184

IUPAC2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
SMILESCCCc1cc(SCC(=O)O)n(C(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-4-5-9-6-10(16-7-11(14)15)13(12-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyAWGGQPJCSHZAMC-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.59
Rot. Bonds6

About 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid

2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid (PubChem CID 62408184) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
PubChem CID62408184
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
SMILESCCCc1cc(SCC(=O)O)n(C(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-4-5-9-6-10(16-7-11(14)15)13(12-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyAWGGQPJCSHZAMC-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-cyclopropylethyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408757
2-[1-(2-methylphenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409146
2-[1-(2-chlorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409903
2-(3-propyl-1-pyrazin-2-ylpyrazol-5-yl)sulfanylacetic acid
CID 81042549
2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62407977
2-[1-(2,4-difluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408163
2-[3-ethyl-1-(2-methylpropyl)pyrazol-5-yl]sulfanylacetic acid
CID 62408753
2-[1-(5-bromo-2-pyridinyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 65349430
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
CID 105450054
2-(1-butan-2-yl-3-cyclopropylpyrazol-5-yl)sulfanylacetic acid
CID 63354577
2-(1-tert-butyl-3-ethylpyrazol-5-yl)sulfanylacetic acid
CID 62408168
2-(2-methyl-6-propylpyrimidin-4-yl)sulfanylacetic acid
CID 94077073

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid (CID 62408184) is 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid is CCCc1cc(SCC(=O)O)n(C(C)C)n1.
What is the InChIKey of 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid?
The InChIKey is AWGGQPJCSHZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-5-9-6-10(16-7-11(14)15)13(12-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid?
2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid has a molecular weight of 242.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid is sourced from PubChem (CID 62408184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).