2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine

C9H17N3O — CID 124500333

IUPAC2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine
SMILESCO[C@@H](C)c1cnn(CCN)c1C
InChIInChI=1S/C9H17N3O/c1-7-9(8(2)13-3)6-11-12(7)5-4-10/h6,8H,4-5,10H2,1-3H3/t8-/m0/s1
InChIKeyKPGXWPIAVPEEFN-QMMMGPOBSA-N
MW183.25 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine

2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine (PubChem CID 124500333) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine
PubChem CID124500333
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine
SMILESCO[C@@H](C)c1cnn(CCN)c1C
InChIInChI=1S/C9H17N3O/c1-7-9(8(2)13-3)6-11-12(7)5-4-10/h6,8H,4-5,10H2,1-3H3/t8-/m0/s1
InChIKeyKPGXWPIAVPEEFN-QMMMGPOBSA-N
XLogP0.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine (CID 124500333) is 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine is CO[C@@H](C)c1cnn(CCN)c1C.
What is the InChIKey of 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine?
The InChIKey is KPGXWPIAVPEEFN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-9(8(2)13-3)6-11-12(7)5-4-10/h6,8H,4-5,10H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine?
2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 124500333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).