1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid

C10H16N2O3 — CID 112590103

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)OCCn1ccc(C(=O)O)n1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-7-6-12-5-4-8(11-12)9(13)14/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyRSINTQKLIWRTDD-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid (PubChem CID 112590103) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid
PubChem CID112590103
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid
SMILESCC(C)(C)OCCn1ccc(C(=O)O)n1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-7-6-12-5-4-8(11-12)9(13)14/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyRSINTQKLIWRTDD-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid (CID 112590103) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid is CC(C)(C)OCCn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid?
The InChIKey is RSINTQKLIWRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)15-7-6-12-5-4-8(11-12)9(13)14/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 112590103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).