5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid

C5H4N6O2 — CID 645797

IUPAC5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-n1cnnn1
InChIInChI=1S/C5H4N6O2/c12-5(13)3-1-6-8-4(3)11-2-7-9-10-11/h1-2H,(H,6,8)(H,12,13)
InChIKeyQRWRAPLZMIQPNY-UHFFFAOYSA-N
MW180.13 g/mol
LogP-0.92
Rot. Bonds2

About 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid

5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 645797) has the molecular formula C5H4N6O2 and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID645797
Molecular FormulaC5H4N6O2
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-n1cnnn1
InChIInChI=1S/C5H4N6O2/c12-5(13)3-1-6-8-4(3)11-2-7-9-10-11/h1-2H,(H,6,8)(H,12,13)
InChIKeyQRWRAPLZMIQPNY-UHFFFAOYSA-N
XLogP-0.92
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid (CID 645797) is 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-n1cnnn1.
What is the InChIKey of 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is QRWRAPLZMIQPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6O2/c12-5(13)3-1-6-8-4(3)11-2-7-9-10-11/h1-2H,(H,6,8)(H,12,13).
What are the key properties of 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid?
5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 180.13 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 645797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).