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

C9H17N3O — CID 103227538

IUPAC3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCNCC(COC)n1cc(C)cn1
InChIInChI=1S/C9H17N3O/c1-8-4-11-12(6-8)9(5-10-2)7-13-3/h4,6,9-10H,5,7H2,1-3H3
InChIKeyNGQYFCLBXBKHPQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.60
Rot. Bonds5

About 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine

3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine (PubChem CID 103227538) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
PubChem CID103227538
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCNCC(COC)n1cc(C)cn1
InChIInChI=1S/C9H17N3O/c1-8-4-11-12(6-8)9(5-10-2)7-13-3/h4,6,9-10H,5,7H2,1-3H3
InChIKeyNGQYFCLBXBKHPQ-UHFFFAOYSA-N
XLogP0.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227554
N-methyl-2-(4-methylpyrazol-1-yl)pentan-1-amine
CID 83046028
N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62449306
2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103227555
2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
CID 62440968
2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227508
N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine
CID 62449280
4-iodo-1-(1-methoxybutan-2-yl)pyrazole
CID 130312079
2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
CID 103227543
1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
CID 170273341
3-methoxy-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 103227561
ethane;1-heptan-3-yl-4-methylpyrazole
CID 169217888

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine (CID 103227538) is 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine is CNCC(COC)n1cc(C)cn1.
What is the InChIKey of 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is NGQYFCLBXBKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8-4-11-12(6-8)9(5-10-2)7-13-3/h4,6,9-10H,5,7H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine?
3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 103227538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).