1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine

C10H19N3O — CID 114651682

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1c(OC)cnn1C
InChIInChI=1S/C10H19N3O/c1-5-7(2)9(11)10-8(14-4)6-12-13(10)3/h6-7,9H,5,11H2,1-4H3
InChIKeyZFMITIWKZYEOSU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine (PubChem CID 114651682) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
PubChem CID114651682
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1c(OC)cnn1C
InChIInChI=1S/C10H19N3O/c1-5-7(2)9(11)10-8(14-4)6-12-13(10)3/h6-7,9H,5,11H2,1-4H3
InChIKeyZFMITIWKZYEOSU-UHFFFAOYSA-N
XLogP1.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114661194
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105339107
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
[2-ethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105235358
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine (CID 114651682) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine?
The InChIKey is ZFMITIWKZYEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-7(2)9(11)10-8(14-4)6-12-13(10)3/h6-7,9H,5,11H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 114651682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).