1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide

C17H22N4 — CID 129194236

IUPAC1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide
SMILESCCc1cccc(CC)c1/N=C(\N)c1cnn(C2CC2)c1
InChIInChI=1S/C17H22N4/c1-3-12-6-5-7-13(4-2)16(12)20-17(18)14-10-19-21(11-14)15-8-9-15/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H2,18,20)
InChIKeyOXWAFWAHKLVJJT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.38
Rot. Bonds5

About 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide

1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide (PubChem CID 129194236) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide
PubChem CID129194236
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide
SMILESCCc1cccc(CC)c1/N=C(\N)c1cnn(C2CC2)c1
InChIInChI=1S/C17H22N4/c1-3-12-6-5-7-13(4-2)16(12)20-17(18)14-10-19-21(11-14)15-8-9-15/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H2,18,20)
InChIKeyOXWAFWAHKLVJJT-UHFFFAOYSA-N
XLogP3.38
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide?
The IUPAC name of 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide (CID 129194236) is 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide.
What is the SMILES notation for 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide?
The canonical SMILES for 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide is CCc1cccc(CC)c1/N=C(\N)c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide?
The InChIKey is OXWAFWAHKLVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-12-6-5-7-13(4-2)16(12)20-17(18)14-10-19-21(11-14)15-8-9-15/h5-7,10-11,15H,3-4,8-9H2,1-2H3,(H2,18,20).
What are the key properties of 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide?
1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(2,6-diethylphenyl)pyrazole-4-carboximidamide is sourced from PubChem (CID 129194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).