1-ethyl-3-methoxypyrazol-4-amine;hydrochloride

C6H12ClN3O — CID 102565526

IUPAC1-ethyl-3-methoxypyrazol-4-amine;hydrochloride
SMILESCCn1cc(N)c(OC)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-3-9-4-5(7)6(8-9)10-2;/h4H,3,7H2,1-2H3;1H
InChIKeyJNOBSHIDXWNIFH-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.92
Rot. Bonds2

About 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride

1-ethyl-3-methoxypyrazol-4-amine;hydrochloride (PubChem CID 102565526) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-methoxypyrazol-4-amine;hydrochloride
PubChem CID102565526
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name1-ethyl-3-methoxypyrazol-4-amine;hydrochloride
SMILESCCn1cc(N)c(OC)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-3-9-4-5(7)6(8-9)10-2;/h4H,3,7H2,1-2H3;1H
InChIKeyJNOBSHIDXWNIFH-UHFFFAOYSA-N
XLogP0.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride?
The IUPAC name of 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride (CID 102565526) is 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride is CCn1cc(N)c(OC)n1.Cl.
What is the InChIKey of 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride?
The InChIKey is JNOBSHIDXWNIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-3-9-4-5(7)6(8-9)10-2;/h4H,3,7H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride?
1-ethyl-3-methoxypyrazol-4-amine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxypyrazol-4-amine;hydrochloride is sourced from PubChem (CID 102565526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).