4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine

C15H27N3 — CID 103093204

IUPAC4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)C(C)=Cc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H27N3/c1-8-16-12(3)11(2)9-13-10-18(7)17-14(13)15(4,5)6/h9-10,12,16H,8H2,1-7H3
InChIKeyDMHLKRWKTORYPV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.12
Rot. Bonds4

About 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine

4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 103093204) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID103093204
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)C(C)=Cc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H27N3/c1-8-16-12(3)11(2)9-13-10-18(7)17-14(13)15(4,5)6/h9-10,12,16H,8H2,1-7H3
InChIKeyDMHLKRWKTORYPV-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine (CID 103093204) is 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine is CCNC(C)C(C)=Cc1cn(C)nc1C(C)(C)C.
What is the InChIKey of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is DMHLKRWKTORYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-8-16-12(3)11(2)9-13-10-18(7)17-14(13)15(4,5)6/h9-10,12,16H,8H2,1-7H3.
What are the key properties of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine?
4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).