1-ethyl-5-morpholin-4-ylpyrazol-4-amine

C9H16N4O — CID 145428294

IUPAC1-ethyl-5-morpholin-4-ylpyrazol-4-amine
SMILESCCn1ncc(N)c1N1CCOCC1
InChIInChI=1S/C9H16N4O/c1-2-13-9(8(10)7-11-13)12-3-5-14-6-4-12/h7H,2-6,10H2,1H3
InChIKeyFIJXCUXHUFMPNX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds2

About 1-ethyl-5-morpholin-4-ylpyrazol-4-amine

1-ethyl-5-morpholin-4-ylpyrazol-4-amine (PubChem CID 145428294) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethyl-5-morpholin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-morpholin-4-ylpyrazol-4-amine
PubChem CID145428294
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-ethyl-5-morpholin-4-ylpyrazol-4-amine
SMILESCCn1ncc(N)c1N1CCOCC1
InChIInChI=1S/C9H16N4O/c1-2-13-9(8(10)7-11-13)12-3-5-14-6-4-12/h7H,2-6,10H2,1H3
InChIKeyFIJXCUXHUFMPNX-UHFFFAOYSA-N
XLogP0.32
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-morpholin-4-ylpyrazol-4-amine?
The IUPAC name of 1-ethyl-5-morpholin-4-ylpyrazol-4-amine (CID 145428294) is 1-ethyl-5-morpholin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-morpholin-4-ylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-morpholin-4-ylpyrazol-4-amine is CCn1ncc(N)c1N1CCOCC1.
What is the InChIKey of 1-ethyl-5-morpholin-4-ylpyrazol-4-amine?
The InChIKey is FIJXCUXHUFMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-13-9(8(10)7-11-13)12-3-5-14-6-4-12/h7H,2-6,10H2,1H3.
What are the key properties of 1-ethyl-5-morpholin-4-ylpyrazol-4-amine?
1-ethyl-5-morpholin-4-ylpyrazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-morpholin-4-ylpyrazol-4-amine is sourced from PubChem (CID 145428294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).