N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine

C12H23N3 — CID 62038265

IUPACN-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
SMILESCCNC(CC)Cn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3/c1-6-12(13-7-2)8-15-11(5)9(3)10(4)14-15/h12-13H,6-8H2,1-5H3
InChIKeyHASZRYPNCGJTFK-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine

N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine (PubChem CID 62038265) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
PubChem CID62038265
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
SMILESCCNC(CC)Cn1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3/c1-6-12(13-7-2)8-15-11(5)9(3)10(4)14-15/h12-13H,6-8H2,1-5H3
InChIKeyHASZRYPNCGJTFK-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine (CID 62038265) is N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine is CCNC(CC)Cn1nc(C)c(C)c1C.
What is the InChIKey of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
The InChIKey is HASZRYPNCGJTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-12(13-7-2)8-15-11(5)9(3)10(4)14-15/h12-13H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine?
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 62038265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).