1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine

C13H25N3O — CID 114255397

IUPAC1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1cc(OC)n(C)n1
InChIInChI=1S/C13H25N3O/c1-6-7-10(2)8-11(14-3)12-9-13(17-5)16(4)15-12/h9-11,14H,6-8H2,1-5H3
InChIKeyKMFGGXHIRRTINX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds7

About 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine

1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine (PubChem CID 114255397) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine
PubChem CID114255397
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1cc(OC)n(C)n1
InChIInChI=1S/C13H25N3O/c1-6-7-10(2)8-11(14-3)12-9-13(17-5)16(4)15-12/h9-11,14H,6-8H2,1-5H3
InChIKeyKMFGGXHIRRTINX-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine (CID 114255397) is 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1cc(OC)n(C)n1.
What is the InChIKey of 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine?
The InChIKey is KMFGGXHIRRTINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-7-10(2)8-11(14-3)12-9-13(17-5)16(4)15-12/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine?
1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 114255397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).