2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol

C12H23N3O — CID 115718660

IUPAC2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(C)O)c1cnn(C(C)C)c1
InChIInChI=1S/C12H23N3O/c1-9(2)15-7-11(6-14-15)10(3)13-8-12(4,5)16/h6-7,9-10,13,16H,8H2,1-5H3
InChIKeyYIORYFNMKAZDAF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol

2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol (PubChem CID 115718660) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
PubChem CID115718660
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(C)O)c1cnn(C(C)C)c1
InChIInChI=1S/C12H23N3O/c1-9(2)15-7-11(6-14-15)10(3)13-8-12(4,5)16/h6-7,9-10,13,16H,8H2,1-5H3
InChIKeyYIORYFNMKAZDAF-UHFFFAOYSA-N
XLogP1.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine
CID 115704138
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 84588852
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725978
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 112709525
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
2-methyl-3-[(1-propan-2-ylpyrazol-4-yl)amino]butan-2-ol
CID 65338216
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
CID 114075698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol (CID 115718660) is 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol is CC(NCC(C)(C)O)c1cnn(C(C)C)c1.
What is the InChIKey of 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is YIORYFNMKAZDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)15-7-11(6-14-15)10(3)13-8-12(4,5)16/h6-7,9-10,13,16H,8H2,1-5H3.
What are the key properties of 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol?
2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115718660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).