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

C17H32N4O2 — CID 111421990

IUPAC3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC(O)C(C)C
InChIInChI=1S/C17H32N4O2/c1-12(2)15(22)11-18-10-14-16(13(3)4)19-20(5)17(14)21-6-8-23-9-7-21/h12-13,15,18,22H,6-11H2,1-5H3
InChIKeyHEQMNMCWRYVFFR-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.49
Rot. Bonds7

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

3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol (PubChem CID 111421990) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol
PubChem CID111421990
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC(O)C(C)C
InChIInChI=1S/C17H32N4O2/c1-12(2)15(22)11-18-10-14-16(13(3)4)19-20(5)17(14)21-6-8-23-9-7-21/h12-13,15,18,22H,6-11H2,1-5H3
InChIKeyHEQMNMCWRYVFFR-UHFFFAOYSA-N
XLogP1.49
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol with MolForge

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Related Compounds

1-[(1-Methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 51104664
4-[(1,3-Dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 51104687
2-[(1-Methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51104825
(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 51105245
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 51105382
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
N-ethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539387
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539931
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 53540028
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53540774
4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 53548599
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 86884964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol (CID 111421990) is 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol is CC(C)c1nn(C)c(N2CCOCC2)c1CNCC(O)C(C)C.
What is the InChIKey of 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol?
The InChIKey is HEQMNMCWRYVFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-12(2)15(22)11-18-10-14-16(13(3)4)19-20(5)17(14)21-6-8-23-9-7-21/h12-13,15,18,22H,6-11H2,1-5H3.
What are the key properties of 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol?
3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 111421990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).