3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid

C6H8N4O3 — CID 25252406

IUPAC3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(=O)NN)n1
InChIInChI=1S/C6H8N4O3/c1-10-2-3(6(12)13)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)(H,12,13)
InChIKeyPYVQBQQBJCULLO-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.28
Rot. Bonds2

About 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid

3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 25252406) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID25252406
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(=O)NN)n1
InChIInChI=1S/C6H8N4O3/c1-10-2-3(6(12)13)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)(H,12,13)
InChIKeyPYVQBQQBJCULLO-UHFFFAOYSA-N
XLogP-1.28
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid (CID 25252406) is 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(C(=O)NN)n1.
What is the InChIKey of 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is PYVQBQQBJCULLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-10-2-3(6(12)13)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)(H,12,13).
What are the key properties of 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid?
3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 184.16 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 25252406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).