2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid

C9H13ClN2O3 — CID 84696237

IUPAC2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid
SMILESCC(C)c1nn(C)c(OCC(=O)O)c1Cl
InChIInChI=1S/C9H13ClN2O3/c1-5(2)8-7(10)9(12(3)11-8)15-4-6(13)14/h5H,4H2,1-3H3,(H,13,14)
InChIKeyAKVMNWSTNVCYGE-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid

2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid (PubChem CID 84696237) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid
PubChem CID84696237
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid
SMILESCC(C)c1nn(C)c(OCC(=O)O)c1Cl
InChIInChI=1S/C9H13ClN2O3/c1-5(2)8-7(10)9(12(3)11-8)15-4-6(13)14/h5H,4H2,1-3H3,(H,13,14)
InChIKeyAKVMNWSTNVCYGE-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117124649
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
methyl 5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxylate
CID 84682330
1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid
CID 73055557
1-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83831978
1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
CID 84671971
5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
CID 11148327
O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 79426492
(2S)-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]propanoic acid
CID 104876117
2-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)sulfanylacetic acid
CID 66017778
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
CID 66013530
5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
CID 114216560

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid?
The IUPAC name of 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid (CID 84696237) is 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid.
What is the SMILES notation for 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid?
The canonical SMILES for 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid is CC(C)c1nn(C)c(OCC(=O)O)c1Cl.
What is the InChIKey of 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid?
The InChIKey is AKVMNWSTNVCYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-5(2)8-7(10)9(12(3)11-8)15-4-6(13)14/h5H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid?
2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid has a molecular weight of 232.67 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid is sourced from PubChem (CID 84696237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).