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

C9H16N4O — CID 2795380

IUPAC1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCOCC2)c1N
InChIInChI=1S/C9H16N4O/c1-7-8(10)9(12(2)11-7)13-3-5-14-6-4-13/h3-6,10H2,1-2H3
InChIKeyLEVZXNJICHTQEC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.15
Rot. Bonds1

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

1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine (PubChem CID 2795380) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine
PubChem CID2795380
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCOCC2)c1N
InChIInChI=1S/C9H16N4O/c1-7-8(10)9(12(2)11-7)13-3-5-14-6-4-13/h3-6,10H2,1-2H3
InChIKeyLEVZXNJICHTQEC-UHFFFAOYSA-N
XLogP0.15
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.15
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?
The IUPAC name of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine (CID 2795380) is 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine is Cc1nn(C)c(N2CCOCC2)c1N.
What is the InChIKey of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine?
The InChIKey is LEVZXNJICHTQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(10)9(12(2)11-7)13-3-5-14-6-4-13/h3-6,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine?
1,3-dimethyl-5-morpholin-4-ylpyrazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.15, 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 is sourced from PubChem (CID 2795380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).