3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid

C11H7ClN4O2 — CID 117411337

IUPAC3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3n[nH]c(Cl)c23)n[nH]1
InChIInChI=1S/C11H7ClN4O2/c12-10-9-5(2-1-3-6(9)13-16-10)7-4-8(11(17)18)15-14-7/h1-4H,(H,13,16)(H,14,15)(H,17,18)
InChIKeyBAUMRXIOKHQMAJ-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.30
Rot. Bonds2

About 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117411337) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117411337
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC Name3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3n[nH]c(Cl)c23)n[nH]1
InChIInChI=1S/C11H7ClN4O2/c12-10-9-5(2-1-3-6(9)13-16-10)7-4-8(11(17)18)15-14-7/h1-4H,(H,13,16)(H,14,15)(H,17,18)
InChIKeyBAUMRXIOKHQMAJ-UHFFFAOYSA-N
XLogP2.30
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 117411337) is 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc3n[nH]c(Cl)c23)n[nH]1.
What is the InChIKey of 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is BAUMRXIOKHQMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c12-10-9-5(2-1-3-6(9)13-16-10)7-4-8(11(17)18)15-14-7/h1-4H,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 262.66 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117411337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).