5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid

C10H10N4O4 — CID 45071963

IUPAC5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCc2cc(C(=O)O)n[nH]2)[nH]n1
InChIInChI=1S/C10H10N4O4/c15-9(16)7-3-5(11-13-7)1-2-6-4-8(10(17)18)14-12-6/h3-4H,1-2H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKeyGISVHSDGEHHFBT-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.31
Rot. Bonds5

About 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid

5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 45071963) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid
PubChem CID45071963
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCc2cc(C(=O)O)n[nH]2)[nH]n1
InChIInChI=1S/C10H10N4O4/c15-9(16)7-3-5(11-13-7)1-2-6-4-8(10(17)18)14-12-6/h3-4H,1-2H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKeyGISVHSDGEHHFBT-UHFFFAOYSA-N
XLogP0.31
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid (CID 45071963) is 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(CCc2cc(C(=O)O)n[nH]2)[nH]n1.
What is the InChIKey of 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is GISVHSDGEHHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-9(16)7-3-5(11-13-7)1-2-6-4-8(10(17)18)14-12-6/h3-4H,1-2H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid?
5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-carboxy-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 45071963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).