2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide

C10H11N5 — CID 121213947

IUPAC2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1cc(-c2cccnc2)cn1
InChIInChI=1S/C10H11N5/c11-10(12)7-15-6-9(5-14-15)8-2-1-3-13-4-8/h1-6H,7H2,(H3,11,12)
InChIKeyYJUMNDHHBUDIDF-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.88
Rot. Bonds3

About 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide

2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide (PubChem CID 121213947) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide
PubChem CID121213947
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1cc(-c2cccnc2)cn1
InChIInChI=1S/C10H11N5/c11-10(12)7-15-6-9(5-14-15)8-2-1-3-13-4-8/h1-6H,7H2,(H3,11,12)
InChIKeyYJUMNDHHBUDIDF-UHFFFAOYSA-N
XLogP0.88
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.88
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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Related Compounds

3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
3-[1-[(3-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]pyridine
CID 141348308
2-(triazol-2-yl)ethanimidamide
CID 136575903
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
3-(2-pyridin-3-ylindol-1-yl)propanimidamide;hydrochloride
CID 82021479
(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126852832
2-[4-(2-phenylphenyl)pyrazol-1-yl]acetamide
CID 121499014
2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
CID 126852817
cyclopenta[c]azepine
CID 638010
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
CID 82422642
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
3-azulen-6-ylpyridine
CID 86232079

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?
The IUPAC name of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide (CID 121213947) is 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide.
What is the SMILES notation for 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?
The canonical SMILES for 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide is [H]/N=C(\N)Cn1cc(-c2cccnc2)cn1.
What is the InChIKey of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?
The InChIKey is YJUMNDHHBUDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-10(12)7-15-6-9(5-14-15)8-2-1-3-13-4-8/h1-6H,7H2,(H3,11,12).
What are the key properties of 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide?
2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide has a molecular weight of 201.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylpyrazol-1-yl)ethanimidamide is sourced from PubChem (CID 121213947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).