2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine

C16H31N3 — CID 154613427

IUPAC2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCc1nn(CCN(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H31N3/c1-12-13(15(2,3)4)14(16(5,6)7)19(17-12)11-10-18(8)9/h10-11H2,1-9H3
InChIKeyYUOIPOXZAVMFMB-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.35
Rot. Bonds3

About 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine

2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 154613427) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID154613427
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCc1nn(CCN(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H31N3/c1-12-13(15(2,3)4)14(16(5,6)7)19(17-12)11-10-18(8)9/h10-11H2,1-9H3
InChIKeyYUOIPOXZAVMFMB-UHFFFAOYSA-N
XLogP3.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine (CID 154613427) is 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine is Cc1nn(CCN(C)C)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is YUOIPOXZAVMFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12-13(15(2,3)4)14(16(5,6)7)19(17-12)11-10-18(8)9/h10-11H2,1-9H3.
What are the key properties of 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine?
2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 154613427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).