4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol

C11H21N3O — CID 83094530

IUPAC4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
SMILESCc1nn(C)cc1C(CCO)C(C)(C)N
InChIInChI=1S/C11H21N3O/c1-8-9(7-14(4)13-8)10(5-6-15)11(2,3)12/h7,10,15H,5-6,12H2,1-4H3
InChIKeyLQJGCDMNSGPKIA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds4

About 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol

4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol (PubChem CID 83094530) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
PubChem CID83094530
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
SMILESCc1nn(C)cc1C(CCO)C(C)(C)N
InChIInChI=1S/C11H21N3O/c1-8-9(7-14(4)13-8)10(5-6-15)11(2,3)12/h7,10,15H,5-6,12H2,1-4H3
InChIKeyLQJGCDMNSGPKIA-UHFFFAOYSA-N
XLogP0.93
TPSA64.07 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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
The IUPAC name of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol (CID 83094530) is 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol is Cc1nn(C)cc1C(CCO)C(C)(C)N.
What is the InChIKey of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
The InChIKey is LQJGCDMNSGPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8-9(7-14(4)13-8)10(5-6-15)11(2,3)12/h7,10,15H,5-6,12H2,1-4H3.
What are the key properties of 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 83094530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).