1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol

C11H21N3O — CID 65197340

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
SMILESCc1nn(C)cc1C(C)NCC(C)(C)O
InChIInChI=1S/C11H21N3O/c1-8(12-7-11(3,4)15)10-6-14(5)13-9(10)2/h6,8,12,15H,7H2,1-5H3
InChIKeyXWDYGUHCILQVSQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds4

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol

1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol (PubChem CID 65197340) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
PubChem CID65197340
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
SMILESCc1nn(C)cc1C(C)NCC(C)(C)O
InChIInChI=1S/C11H21N3O/c1-8(12-7-11(3,4)15)10-6-14(5)13-9(10)2/h6,8,12,15H,7H2,1-5H3
InChIKeyXWDYGUHCILQVSQ-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol (CID 65197340) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol is Cc1nn(C)cc1C(C)NCC(C)(C)O.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is XWDYGUHCILQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(12-7-11(3,4)15)10-6-14(5)13-9(10)2/h6,8,12,15H,7H2,1-5H3.
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol?
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 65197340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).