1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C16H31N3O — CID 103031164

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(C)nn1CC
InChIInChI=1S/C16H31N3O/c1-7-11-17-14(9-10-16(4,5)20-6)15-12-13(3)18-19(15)8-2/h12,14,17H,7-11H2,1-6H3
InChIKeyBNBRRQMAAXJKPY-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.46
Rot. Bonds9

About 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031164) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031164
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1cc(C)nn1CC
InChIInChI=1S/C16H31N3O/c1-7-11-17-14(9-10-16(4,5)20-6)15-12-13(3)18-19(15)8-2/h12,14,17H,7-11H2,1-6H3
InChIKeyBNBRRQMAAXJKPY-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105085268
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114437
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113696
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031164) is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is BNBRRQMAAXJKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-11-17-14(9-10-16(4,5)20-6)15-12-13(3)18-19(15)8-2/h12,14,17H,7-11H2,1-6H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).