N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide

C18H30N6 — CID 102274171

IUPACN-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide
SMILESCC/N=C(\NC(C)(C)C)C(n1nc(C)cc1C)n1nc(C)cc1C
InChIInChI=1S/C18H30N6/c1-9-19-16(20-18(6,7)8)17(23-14(4)10-12(2)21-23)24-15(5)11-13(3)22-24/h10-11,17H,9H2,1-8H3,(H,19,20)
InChIKeyGFVUEFCJHSCYSW-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.17
Rot. Bonds4

About N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide

N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide (PubChem CID 102274171) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide
PubChem CID102274171
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC NameN-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide
SMILESCC/N=C(\NC(C)(C)C)C(n1nc(C)cc1C)n1nc(C)cc1C
InChIInChI=1S/C18H30N6/c1-9-19-16(20-18(6,7)8)17(23-14(4)10-12(2)21-23)24-15(5)11-13(3)22-24/h10-11,17H,9H2,1-8H3,(H,19,20)
InChIKeyGFVUEFCJHSCYSW-UHFFFAOYSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide?
The IUPAC name of N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide (CID 102274171) is N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide.
What is the SMILES notation for N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide?
The canonical SMILES for N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide is CC/N=C(\NC(C)(C)C)C(n1nc(C)cc1C)n1nc(C)cc1C.
What is the InChIKey of N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide?
The InChIKey is GFVUEFCJHSCYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-9-19-16(20-18(6,7)8)17(23-14(4)10-12(2)21-23)24-15(5)11-13(3)22-24/h10-11,17H,9H2,1-8H3,(H,19,20).
What are the key properties of N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide?
N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide has a molecular weight of 330.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-bis(3,5-dimethylpyrazol-1-yl)-N'-ethylethanimidamide is sourced from PubChem (CID 102274171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).