1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole

C10H14N4O2 — CID 68957529

IUPAC1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole
SMILESCc1cn(C)nc1C.O=C(O)c1ccn[nH]1
InChIInChI=1S/C6H10N2.C4H4N2O2/c1-5-4-8(3)7-6(5)2;7-4(8)3-1-2-5-6-3/h4H,1-3H3;1-2H,(H,5,6)(H,7,8)
InChIKeyTXWZURMFSVVGEC-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.14
Rot. Bonds1

About 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole

1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole (PubChem CID 68957529) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole
PubChem CID68957529
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole
SMILESCc1cn(C)nc1C.O=C(O)c1ccn[nH]1
InChIInChI=1S/C6H10N2.C4H4N2O2/c1-5-4-8(3)7-6(5)2;7-4(8)3-1-2-5-6-3/h4H,1-3H3;1-2H,(H,5,6)(H,7,8)
InChIKeyTXWZURMFSVVGEC-UHFFFAOYSA-N
XLogP1.14
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole?
The IUPAC name of 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole (CID 68957529) is 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole.
What is the SMILES notation for 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole?
The canonical SMILES for 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole is Cc1cn(C)nc1C.O=C(O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole?
The InChIKey is TXWZURMFSVVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H4N2O2/c1-5-4-8(3)7-6(5)2;7-4(8)3-1-2-5-6-3/h4H,1-3H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole?
1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole has a molecular weight of 222.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole is sourced from PubChem (CID 68957529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).