2-(3,5-diethylpyrazol-1-yl)ethanimidamide

C9H16N4 — CID 82695399

IUPAC2-(3,5-diethylpyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1nc(CC)cc1CC
InChIInChI=1S/C9H16N4/c1-3-7-5-8(4-2)13(12-7)6-9(10)11/h5H,3-4,6H2,1-2H3,(H3,10,11)
InChIKeyWKSYHCHBXWTFBE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds4

About 2-(3,5-diethylpyrazol-1-yl)ethanimidamide

2-(3,5-diethylpyrazol-1-yl)ethanimidamide (PubChem CID 82695399) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)ethanimidamide
PubChem CID82695399
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(3,5-diethylpyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1nc(CC)cc1CC
InChIInChI=1S/C9H16N4/c1-3-7-5-8(4-2)13(12-7)6-9(10)11/h5H,3-4,6H2,1-2H3,(H3,10,11)
InChIKeyWKSYHCHBXWTFBE-UHFFFAOYSA-N
XLogP0.94
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
3,5-diethyl-1-propylpyrazole
CID 82699697
4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82693934
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82700538
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
3,5-diethylpyrazole-1-carboxamide
CID 91622965
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
N-(3-amino-3-sulfanylidenepropyl)-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82693033

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)ethanimidamide?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)ethanimidamide (CID 82695399) is 2-(3,5-diethylpyrazol-1-yl)ethanimidamide.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)ethanimidamide?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)ethanimidamide is [H]/N=C(\N)Cn1nc(CC)cc1CC.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)ethanimidamide?
The InChIKey is WKSYHCHBXWTFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-7-5-8(4-2)13(12-7)6-9(10)11/h5H,3-4,6H2,1-2H3,(H3,10,11).
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)ethanimidamide?
2-(3,5-diethylpyrazol-1-yl)ethanimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)ethanimidamide is sourced from PubChem (CID 82695399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).