2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine

C10H19N3O — CID 116715354

IUPAC2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCC(OC)C(NC)c1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-5-9(14-4)10(11-2)8-6-12-13(3)7-8/h6-7,9-11H,5H2,1-4H3
InChIKeyUZNGIUROGONATE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds5

About 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine

2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 116715354) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID116715354
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCC(OC)C(NC)c1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-5-9(14-4)10(11-2)8-6-12-13(3)7-8/h6-7,9-11H,5H2,1-4H3
InChIKeyUZNGIUROGONATE-UHFFFAOYSA-N
XLogP1.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-1-(1-methylpyrazol-4-yl)butyl]hydrazine
CID 105270600
N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012254
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 79495409
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719917
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
CID 114282093
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine (CID 116715354) is 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine is CCC(OC)C(NC)c1cnn(C)c1.
What is the InChIKey of 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is UZNGIUROGONATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-9(14-4)10(11-2)8-6-12-13(3)7-8/h6-7,9-11H,5H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 116715354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).