3-methoxypyrazol-1-amine

C4H7N3O — CID 86205723

IUPAC3-methoxypyrazol-1-amine
SMILESCOc1ccn(N)n1
InChIInChI=1S/C4H7N3O/c1-8-4-2-3-7(5)6-4/h2-3H,5H2,1H3
InChIKeyBKKIMKNTJBZHHT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.39
Rot. Bonds1

About 3-methoxypyrazol-1-amine

3-methoxypyrazol-1-amine (PubChem CID 86205723) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-methoxypyrazol-1-amine.

Molecular Properties

Compound Name3-methoxypyrazol-1-amine
PubChem CID86205723
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name3-methoxypyrazol-1-amine
SMILESCOc1ccn(N)n1
InChIInChI=1S/C4H7N3O/c1-8-4-2-3-7(5)6-4/h2-3H,5H2,1H3
InChIKeyBKKIMKNTJBZHHT-UHFFFAOYSA-N
XLogP-0.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1H-pyrazole
CID 20251205
5-methoxy-1H-pyrazole
CID 17852300
3-(propan-2-yloxy)-1H-pyrazole
CID 68602893
5-Methoxy-1H-pyrazol-1-amine
CID 20276052
Methoxytriazine
CID 22168417
1,3-Dimethoxypyrazole
CID 91414202
Cyanatopyrazole
CID 124152595
3-(Difluoromethoxy)-1H-pyrazole
CID 53694029
5-(fluoromethoxy)-1H-pyrazole
CID 68298048
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
5-(2-fluoroethoxy)-1H-pyrazole
CID 87527680
1-Fluoro-3-(2-methylpropoxy)pyrazole
CID 121273344

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrazol-1-amine?
The IUPAC name of 3-methoxypyrazol-1-amine (CID 86205723) is 3-methoxypyrazol-1-amine.
What is the SMILES notation for 3-methoxypyrazol-1-amine?
The canonical SMILES for 3-methoxypyrazol-1-amine is COc1ccn(N)n1.
What is the InChIKey of 3-methoxypyrazol-1-amine?
The InChIKey is BKKIMKNTJBZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-8-4-2-3-7(5)6-4/h2-3H,5H2,1H3.
What are the key properties of 3-methoxypyrazol-1-amine?
3-methoxypyrazol-1-amine has a molecular weight of 113.12 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrazol-1-amine is sourced from PubChem (CID 86205723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).