2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid

C14H14N4O3 — CID 146591906

IUPAC2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid
SMILESCC(O)c1cc2nn(CC(=O)O)cc2cc1-n1cccn1
InChIInChI=1S/C14H14N4O3/c1-9(19)11-6-12-10(7-17(16-12)8-14(20)21)5-13(11)18-4-2-3-15-18/h2-7,9,19H,8H2,1H3,(H,20,21)
InChIKeyWMVSCWKFLMKHIA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.36
Rot. Bonds4

About 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid

2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid (PubChem CID 146591906) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid
PubChem CID146591906
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid
SMILESCC(O)c1cc2nn(CC(=O)O)cc2cc1-n1cccn1
InChIInChI=1S/C14H14N4O3/c1-9(19)11-6-12-10(7-17(16-12)8-14(20)21)5-13(11)18-4-2-3-15-18/h2-7,9,19H,8H2,1H3,(H,20,21)
InChIKeyWMVSCWKFLMKHIA-UHFFFAOYSA-N
XLogP1.36
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid (CID 146591906) is 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid is CC(O)c1cc2nn(CC(=O)O)cc2cc1-n1cccn1.
What is the InChIKey of 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid?
The InChIKey is WMVSCWKFLMKHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9(19)11-6-12-10(7-17(16-12)8-14(20)21)5-13(11)18-4-2-3-15-18/h2-7,9,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid?
2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-hydroxyethyl)-5-pyrazol-1-ylindazol-2-yl]acetic acid is sourced from PubChem (CID 146591906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).