5-(1-methoxyethyl)-1H-pyrazol-3-amine

C6H11N3O — CID 55285515

IUPAC5-(1-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOC(C)c1cc(N)n[nH]1
InChIInChI=1S/C6H11N3O/c1-4(10-2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9)
InChIKeyAFUGOCTUTUHNRM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.70
Rot. Bonds2

About 5-(1-methoxyethyl)-1H-pyrazol-3-amine

5-(1-methoxyethyl)-1H-pyrazol-3-amine (PubChem CID 55285515) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-methoxyethyl)-1H-pyrazol-3-amine
PubChem CID55285515
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name5-(1-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOC(C)c1cc(N)n[nH]1
InChIInChI=1S/C6H11N3O/c1-4(10-2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9)
InChIKeyAFUGOCTUTUHNRM-UHFFFAOYSA-N
XLogP0.70
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-methoxyethyl)-1H-pyrazol-3-amine (CID 55285515) is 5-(1-methoxyethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-methoxyethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-methoxyethyl)-1H-pyrazol-3-amine is COC(C)c1cc(N)n[nH]1.
What is the InChIKey of 5-(1-methoxyethyl)-1H-pyrazol-3-amine?
The InChIKey is AFUGOCTUTUHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(10-2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9).
What are the key properties of 5-(1-methoxyethyl)-1H-pyrazol-3-amine?
5-(1-methoxyethyl)-1H-pyrazol-3-amine has a molecular weight of 141.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 55285515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).