1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine

C13H25N3O — CID 116718430

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
SMILESCCCC(OC)C(N)Cc1cc(CC)nn1C
InChIInChI=1S/C13H25N3O/c1-5-7-13(17-4)12(14)9-11-8-10(6-2)15-16(11)3/h8,12-13H,5-7,9,14H2,1-4H3
InChIKeyXRZWBOVZWVBVJM-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.67
Rot. Bonds7

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine (PubChem CID 116718430) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
PubChem CID116718430
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
SMILESCCCC(OC)C(N)Cc1cc(CC)nn1C
InChIInChI=1S/C13H25N3O/c1-5-7-13(17-4)12(14)9-11-8-10(6-2)15-16(11)3/h8,12-13H,5-7,9,14H2,1-4H3
InChIKeyXRZWBOVZWVBVJM-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 116718521
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769741
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine (CID 116718430) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine is CCCC(OC)C(N)Cc1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine?
The InChIKey is XRZWBOVZWVBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-13(17-4)12(14)9-11-8-10(6-2)15-16(11)3/h8,12-13H,5-7,9,14H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine is sourced from PubChem (CID 116718430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).