1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine

C11H21N3O2 — CID 114648521

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
SMILESCCn1ncc(OC)c1C(CCOC)NC
InChIInChI=1S/C11H21N3O2/c1-5-14-11(10(16-4)8-13-14)9(12-2)6-7-15-3/h8-9,12H,5-7H2,1-4H3
InChIKeyKFEHLOJWYRRYFQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.21
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 114648521) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
PubChem CID114648521
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
SMILESCCn1ncc(OC)c1C(CCOC)NC
InChIInChI=1S/C11H21N3O2/c1-5-14-11(10(16-4)8-13-14)9(12-2)6-7-15-3/h8-9,12H,5-7H2,1-4H3
InChIKeyKFEHLOJWYRRYFQ-UHFFFAOYSA-N
XLogP1.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928708
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
[3-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propyl]hydrazine
CID 105339460
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine (CID 114648521) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine is CCn1ncc(OC)c1C(CCOC)NC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is KFEHLOJWYRRYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-14-11(10(16-4)8-13-14)9(12-2)6-7-15-3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 114648521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).