1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride

C9H18Cl2N4O — CID 155822730

IUPAC1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride
SMILESCc1nn(C)c(N2CCOCC2)c1N.Cl.Cl
InChIInChI=1S/C9H16N4O.2ClH/c1-7-8(10)9(12(2)11-7)13-3-5-14-6-4-13;;/h3-6,10H2,1-2H3;2*1H
InChIKeyGPMXOWQUPHVPLU-UHFFFAOYSA-N
MW269.18 g/mol
LogP0.99
Rot. Bonds1

About 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride

1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride (PubChem CID 155822730) has the molecular formula C9H18Cl2N4O and a molecular weight of 269.18 g/mol. Its IUPAC name is 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride
PubChem CID155822730
Molecular FormulaC9H18Cl2N4O
Molecular Weight269.18 g/mol
Exact Mass268.09
IUPAC Name1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride
SMILESCc1nn(C)c(N2CCOCC2)c1N.Cl.Cl
InChIInChI=1S/C9H16N4O.2ClH/c1-7-8(10)9(12(2)11-7)13-3-5-14-6-4-13;;/h3-6,10H2,1-2H3;2*1H
InChIKeyGPMXOWQUPHVPLU-UHFFFAOYSA-N
XLogP0.99
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride (CID 155822730) is 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride is Cc1nn(C)c(N2CCOCC2)c1N.Cl.Cl.
What is the InChIKey of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride?
The InChIKey is GPMXOWQUPHVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.2ClH/c1-7-8(10)9(12(2)11-7)13-3-5-14-6-4-13;;/h3-6,10H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride?
1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride has a molecular weight of 269.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 155822730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).