1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide

C10H11N5 — CID 121210914

IUPAC1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccncc2)nn1C
InChIInChI=1S/C10H11N5/c1-15-9(10(11)12)6-8(14-15)7-2-4-13-5-3-7/h2-6H,1H3,(H3,11,12)
InChIKeyRGZLYOZQWSECKU-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.77
Rot. Bonds2

About 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide

1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide (PubChem CID 121210914) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide
PubChem CID121210914
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccncc2)nn1C
InChIInChI=1S/C10H11N5/c1-15-9(10(11)12)6-8(14-15)7-2-4-13-5-3-7/h2-6H,1H3,(H3,11,12)
InChIKeyRGZLYOZQWSECKU-UHFFFAOYSA-N
XLogP0.77
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide?
The IUPAC name of 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide (CID 121210914) is 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide.
What is the SMILES notation for 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide?
The canonical SMILES for 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccncc2)nn1C.
What is the InChIKey of 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide?
The InChIKey is RGZLYOZQWSECKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-15-9(10(11)12)6-8(14-15)7-2-4-13-5-3-7/h2-6H,1H3,(H3,11,12).
What are the key properties of 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide?
1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide has a molecular weight of 201.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 121210914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).