2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine

C14H27N3O — CID 103227564

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCCc1c(C)nn(C(CNC(C)C)COC)c1C
InChIInChI=1S/C14H27N3O/c1-7-14-11(4)16-17(12(14)5)13(9-18-6)8-15-10(2)3/h10,13,15H,7-9H2,1-6H3
InChIKeyMELUDOACYXZWKF-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.25
Rot. Bonds7

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103227564) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103227564
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCCc1c(C)nn(C(CNC(C)C)COC)c1C
InChIInChI=1S/C14H27N3O/c1-7-14-11(4)16-17(12(14)5)13(9-18-6)8-15-10(2)3/h10,13,15H,7-9H2,1-6H3
InChIKeyMELUDOACYXZWKF-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine
CID 79225643
3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 103227561
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
CID 62442336
N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine
CID 64707666
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566635
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
3-methoxy-N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503291
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-one
CID 64697316
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662065
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103227564) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine is CCc1c(C)nn(C(CNC(C)C)COC)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is MELUDOACYXZWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-14-11(4)16-17(12(14)5)13(9-18-6)8-15-10(2)3/h10,13,15H,7-9H2,1-6H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).