3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride

C7H15Cl2N3O — CID 155820189

IUPAC3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride
SMILESCOc1nn(C(C)C)cc1N.Cl.Cl
InChIInChI=1S/C7H13N3O.2ClH/c1-5(2)10-4-6(8)7(9-10)11-3;;/h4-5H,8H2,1-3H3;2*1H
InChIKeyUXDGNBNJHJOROU-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.90
Rot. Bonds2

About 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride

3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride (PubChem CID 155820189) has the molecular formula C7H15Cl2N3O and a molecular weight of 228.12 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride
PubChem CID155820189
Molecular FormulaC7H15Cl2N3O
Molecular Weight228.12 g/mol
Exact Mass227.06
IUPAC Name3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride
SMILESCOc1nn(C(C)C)cc1N.Cl.Cl
InChIInChI=1S/C7H13N3O.2ClH/c1-5(2)10-4-6(8)7(9-10)11-3;;/h4-5H,8H2,1-3H3;2*1H
InChIKeyUXDGNBNJHJOROU-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride (CID 155820189) is 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride is COc1nn(C(C)C)cc1N.Cl.Cl.
What is the InChIKey of 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride?
The InChIKey is UXDGNBNJHJOROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.2ClH/c1-5(2)10-4-6(8)7(9-10)11-3;;/h4-5H,8H2,1-3H3;2*1H.
What are the key properties of 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride?
3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride has a molecular weight of 228.12 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-ylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 155820189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).