2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride

C8H13ClN2O3 — CID 155977998

IUPAC2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride
SMILESCC(C)n1cc(OCC(=O)O)cn1.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-6(2)10-4-7(3-9-10)13-5-8(11)12;/h3-4,6H,5H2,1-2H3,(H,11,12);1H
InChIKeyKDOGOPXHAVVYDU-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.35
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride

2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride (PubChem CID 155977998) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride
PubChem CID155977998
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC Name2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride
SMILESCC(C)n1cc(OCC(=O)O)cn1.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-6(2)10-4-7(3-9-10)13-5-8(11)12;/h3-4,6H,5H2,1-2H3,(H,11,12);1H
InChIKeyKDOGOPXHAVVYDU-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride?
The IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride (CID 155977998) is 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride is CC(C)n1cc(OCC(=O)O)cn1.Cl.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride?
The InChIKey is KDOGOPXHAVVYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.ClH/c1-6(2)10-4-7(3-9-10)13-5-8(11)12;/h3-4,6H,5H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride?
2-(1-propan-2-ylpyrazol-4-yl)oxyacetic acid;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 1.35, 4 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-4-yl)oxyacetic acid;hydrochloride is sourced from PubChem (CID 155977998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).