1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine

C15H29N3 — CID 55110774

IUPAC1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCCCC(CC)Cn1nc(C)c(C(C)N)c1C
InChIInChI=1S/C15H29N3/c1-6-8-9-14(7-2)10-18-13(5)15(11(3)16)12(4)17-18/h11,14H,6-10,16H2,1-5H3
InChIKeyIUDISRXREYDKSA-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.74
Rot. Bonds7

About 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine

1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 55110774) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID55110774
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCCCC(CC)Cn1nc(C)c(C(C)N)c1C
InChIInChI=1S/C15H29N3/c1-6-8-9-14(7-2)10-18-13(5)15(11(3)16)12(4)17-18/h11,14H,6-10,16H2,1-5H3
InChIKeyIUDISRXREYDKSA-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-chloropropyl)-1-(2-ethylhexyl)-3,5-dimethylpyrazole
CID 55223281
N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 63514038
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63513000
1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82929816
(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 94575228
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62729112
1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62732283
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
1-[1-[(4-tert-butylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62728577
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine (CID 55110774) is 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine is CCCCC(CC)Cn1nc(C)c(C(C)N)c1C.
What is the InChIKey of 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is IUDISRXREYDKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-8-9-14(7-2)10-18-13(5)15(11(3)16)12(4)17-18/h11,14H,6-10,16H2,1-5H3.
What are the key properties of 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 55110774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).