1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

C9H11N5O — CID 2809082

IUPAC1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESCn1ncc(C(=O)NN)c1-n1cccc1
InChIInChI=1S/C9H11N5O/c1-13-9(14-4-2-3-5-14)7(6-11-13)8(15)12-10/h2-6H,10H2,1H3,(H,12,15)
InChIKeyKWRFNCHEJNQOMZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.19
Rot. Bonds2

About 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (PubChem CID 2809082) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
PubChem CID2809082
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESCn1ncc(C(=O)NN)c1-n1cccc1
InChIInChI=1S/C9H11N5O/c1-13-9(14-4-2-3-5-14)7(6-11-13)8(15)12-10/h2-6H,10H2,1H3,(H,12,15)
InChIKeyKWRFNCHEJNQOMZ-UHFFFAOYSA-N
XLogP-0.19
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (CID 2809082) is 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is Cn1ncc(C(=O)NN)c1-n1cccc1.
What is the InChIKey of 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The InChIKey is KWRFNCHEJNQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-9(14-4-2-3-5-14)7(6-11-13)8(15)12-10/h2-6H,10H2,1H3,(H,12,15).
What are the key properties of 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide has a molecular weight of 205.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2809082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).