4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine

C11H20N4O — CID 117216699

IUPAC4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(CN2CCOCC2)c1N
InChIInChI=1S/C11H20N4O/c1-9(2)15-11(12)10(7-13-15)8-14-3-5-16-6-4-14/h7,9H,3-6,8,12H2,1-2H3
InChIKeyNVMMOJOIFYIKGR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.88
Rot. Bonds3

About 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine

4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine (PubChem CID 117216699) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
PubChem CID117216699
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(CN2CCOCC2)c1N
InChIInChI=1S/C11H20N4O/c1-9(2)15-11(12)10(7-13-15)8-14-3-5-16-6-4-14/h7,9H,3-6,8,12H2,1-2H3
InChIKeyNVMMOJOIFYIKGR-UHFFFAOYSA-N
XLogP0.88
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine (CID 117216699) is 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine is CC(C)n1ncc(CN2CCOCC2)c1N.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine?
The InChIKey is NVMMOJOIFYIKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)15-11(12)10(7-13-15)8-14-3-5-16-6-4-14/h7,9H,3-6,8,12H2,1-2H3.
What are the key properties of 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine?
4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine has a molecular weight of 224.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 117216699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).