2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine

C7H13N3O — CID 83826472

IUPAC2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine
SMILESCOC(C)(CN)c1cn[nH]c1
InChIInChI=1S/C7H13N3O/c1-7(5-8,11-2)6-3-9-10-4-6/h3-4H,5,8H2,1-2H3,(H,9,10)
InChIKeyQYRRMIUGNJUNNC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.23
Rot. Bonds3

About 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine

2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine (PubChem CID 83826472) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine
PubChem CID83826472
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine
SMILESCOC(C)(CN)c1cn[nH]c1
InChIInChI=1S/C7H13N3O/c1-7(5-8,11-2)6-3-9-10-4-6/h3-4H,5,8H2,1-2H3,(H,9,10)
InChIKeyQYRRMIUGNJUNNC-UHFFFAOYSA-N
XLogP0.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine (CID 83826472) is 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine is COC(C)(CN)c1cn[nH]c1.
What is the InChIKey of 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is QYRRMIUGNJUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(5-8,11-2)6-3-9-10-4-6/h3-4H,5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine?
2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 83826472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).