2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

C12H23N3 — CID 106758131

IUPAC2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCCC(CC)CNC(C)c1ccnn1C
InChIInChI=1S/C12H23N3/c1-5-11(6-2)9-13-10(3)12-7-8-14-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyKZQWCYUAXKIPIG-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds6

About 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine

2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (PubChem CID 106758131) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
PubChem CID106758131
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCCC(CC)CNC(C)c1ccnn1C
InChIInChI=1S/C12H23N3/c1-5-11(6-2)9-13-10(3)12-7-8-14-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyKZQWCYUAXKIPIG-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 106758117
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine (CID 106758131) is 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is CCC(CC)CNC(C)c1ccnn1C.
What is the InChIKey of 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
The InChIKey is KZQWCYUAXKIPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(6-2)9-13-10(3)12-7-8-14-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine?
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106758131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).