(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

C15H28N4O2 — CID 51105245

IUPAC(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)CO
InChIInChI=1S/C15H28N4O2/c1-11(2)14-13(9-16-12(3)10-20)15(18(4)17-14)19-5-7-21-8-6-19/h11-12,16,20H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyGTVWTEFYXXBCBI-GFCCVEGCSA-N
MW296.42 g/mol
LogP0.85
Rot. Bonds6

About (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 51105245) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID51105245
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)CO
InChIInChI=1S/C15H28N4O2/c1-11(2)14-13(9-16-12(3)10-20)15(18(4)17-14)19-5-7-21-8-6-19/h11-12,16,20H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyGTVWTEFYXXBCBI-GFCCVEGCSA-N
XLogP0.85
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (CID 51105245) is (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)CO.
What is the InChIKey of (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is GTVWTEFYXXBCBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)14-13(9-16-12(3)10-20)15(18(4)17-14)19-5-7-21-8-6-19/h11-12,16,20H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 296.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 51105245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).