5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid

C8H10N4O2 — CID 157275317

IUPAC5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid
SMILESCc1ccn[nH]1.O=C(O)c1ccn[nH]1
InChIInChI=1S/C4H4N2O2.C4H6N2/c7-4(8)3-1-2-5-6-3;1-4-2-3-5-6-4/h1-2H,(H,5,6)(H,7,8);2-3H,1H3,(H,5,6)
InChIKeyAZAKMVGKVKUZEN-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.83
Rot. Bonds1

About 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid

5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid (PubChem CID 157275317) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid
PubChem CID157275317
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid
SMILESCc1ccn[nH]1.O=C(O)c1ccn[nH]1
InChIInChI=1S/C4H4N2O2.C4H6N2/c7-4(8)3-1-2-5-6-3;1-4-2-3-5-6-4/h1-2H,(H,5,6)(H,7,8);2-3H,1H3,(H,5,6)
InChIKeyAZAKMVGKVKUZEN-UHFFFAOYSA-N
XLogP0.83
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid?
The IUPAC name of 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid (CID 157275317) is 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid is Cc1ccn[nH]1.O=C(O)c1ccn[nH]1.
What is the InChIKey of 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid?
The InChIKey is AZAKMVGKVKUZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C4H6N2/c7-4(8)3-1-2-5-6-3;1-4-2-3-5-6-4/h1-2H,(H,5,6)(H,7,8);2-3H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid?
5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole;1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 157275317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).