5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine

C15H29N3O — CID 66019695

IUPAC5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCCC(CC)COc1c(N)c(CCC)nn1C
InChIInChI=1S/C15H29N3O/c1-5-8-10-12(7-3)11-19-15-14(16)13(9-6-2)17-18(15)4/h12H,5-11,16H2,1-4H3
InChIKeyDRCJYYOBMIGEDQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.55
Rot. Bonds9

About 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine

5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66019695) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66019695
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCCC(CC)COc1c(N)c(CCC)nn1C
InChIInChI=1S/C15H29N3O/c1-5-8-10-12(7-3)11-19-15-14(16)13(9-6-2)17-18(15)4/h12H,5-11,16H2,1-4H3
InChIKeyDRCJYYOBMIGEDQ-UHFFFAOYSA-N
XLogP3.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-1-methyl-3-propylpyrazol-4-amine
CID 66019111
[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 45282967
6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107816990
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182
6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989394
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
CID 66019626
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
5-hexoxy-1,3-dimethylpyrazol-4-amine
CID 43554474

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine (CID 66019695) is 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine is CCCCC(CC)COc1c(N)c(CCC)nn1C.
What is the InChIKey of 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is DRCJYYOBMIGEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-10-12(7-3)11-19-15-14(16)13(9-6-2)17-18(15)4/h12H,5-11,16H2,1-4H3.
What are the key properties of 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine?
5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 267.42 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66019695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).