1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

C11H21N3O2 — CID 79778676

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCn1ccc(NCC(O)COC(C)(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)16-8-9(15)7-12-10-5-6-14(4)13-10/h5-6,9,15H,7-8H2,1-4H3,(H,12,13)
InChIKeyFKKBOPQHYFUPSS-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.01
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 79778676) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID79778676
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCn1ccc(NCC(O)COC(C)(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)16-8-9(15)7-12-10-5-6-14(4)13-10/h5-6,9,15H,7-8H2,1-4H3,(H,12,13)
InChIKeyFKKBOPQHYFUPSS-UHFFFAOYSA-N
XLogP1.01
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779274
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779688
1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778854
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
3,3,3-trifluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]propanoic acid
CID 103256819
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778765
1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
CID 79779073
1-(furan-2-yl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79779478

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (CID 79778676) is 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is Cn1ccc(NCC(O)COC(C)(C)C)n1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is FKKBOPQHYFUPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)16-8-9(15)7-12-10-5-6-14(4)13-10/h5-6,9,15H,7-8H2,1-4H3,(H,12,13).
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 79778676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).