N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine

C15H29N3 — CID 62730156

IUPACN-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
SMILESCCCCC(CC)Cn1cc(C(C)NCC)cn1
InChIInChI=1S/C15H29N3/c1-5-8-9-14(6-2)11-18-12-15(10-17-18)13(4)16-7-3/h10,12-14,16H,5-9,11H2,1-4H3
InChIKeyKCPJJYZGJOHGQO-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.77
Rot. Bonds9

About N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine

N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine (PubChem CID 62730156) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
PubChem CID62730156
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
SMILESCCCCC(CC)Cn1cc(C(C)NCC)cn1
InChIInChI=1S/C15H29N3/c1-5-8-9-14(6-2)11-18-12-15(10-17-18)13(4)16-7-3/h10,12-14,16H,5-9,11H2,1-4H3
InChIKeyKCPJJYZGJOHGQO-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
CID 65195228
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene
CID 132597018
1-(2-ethylpentyl)-4-methylpyrazole
CID 171540355
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
2-[1-(2-ethylhexyl)pyrazol-4-yl]aniline
CID 63338208
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
CID 66193381
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine (CID 62730156) is N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine is CCCCC(CC)Cn1cc(C(C)NCC)cn1.
What is the InChIKey of N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine?
The InChIKey is KCPJJYZGJOHGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-8-9-14(6-2)11-18-12-15(10-17-18)13(4)16-7-3/h10,12-14,16H,5-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62730156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).