2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid

C11H16N2O3S — CID 65442942

IUPAC2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
SMILESCn1cc(CS(=O)CC2(CC(=O)O)CC2)cn1
InChIInChI=1S/C11H16N2O3S/c1-13-6-9(5-12-13)7-17(16)8-11(2-3-11)4-10(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyFOWOETXOUFOTDO-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.92
Rot. Bonds6

About 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid

2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65442942) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65442942
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
SMILESCn1cc(CS(=O)CC2(CC(=O)O)CC2)cn1
InChIInChI=1S/C11H16N2O3S/c1-13-6-9(5-12-13)7-17(16)8-11(2-3-11)4-10(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyFOWOETXOUFOTDO-UHFFFAOYSA-N
XLogP0.92
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777810
2-[1-[(1-methyltriazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
CID 107052001
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61350617
2-[1-[(3-bromothiophen-2-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
CID 65442553
2-[1-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65443743
2-[1-(phenylmethoxymethylsulfinylmethyl)cyclopropyl]acetic acid
CID 102940258
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032870
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
3-[(1-methylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66115922
3,3-dimethyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 81004127
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid (CID 65442942) is 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid is Cn1cc(CS(=O)CC2(CC(=O)O)CC2)cn1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is FOWOETXOUFOTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13-6-9(5-12-13)7-17(16)8-11(2-3-11)4-10(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).