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

C11H21N3O — CID 83088538

IUPAC2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
SMILESCc1nn(C)cc1C(O)C(N)CC(C)C
InChIInChI=1S/C11H21N3O/c1-7(2)5-10(12)11(15)9-6-14(4)13-8(9)3/h6-7,10-11,15H,5,12H2,1-4H3
InChIKeyNKRKBLMQAFCGBU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol

2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol (PubChem CID 83088538) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
PubChem CID83088538
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
SMILESCc1nn(C)cc1C(O)C(N)CC(C)C
InChIInChI=1S/C11H21N3O/c1-7(2)5-10(12)11(15)9-6-14(4)13-8(9)3/h6-7,10-11,15H,5,12H2,1-4H3
InChIKeyNKRKBLMQAFCGBU-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol (CID 83088538) is 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol is Cc1nn(C)cc1C(O)C(N)CC(C)C.
What is the InChIKey of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
The InChIKey is NKRKBLMQAFCGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)5-10(12)11(15)9-6-14(4)13-8(9)3/h6-7,10-11,15H,5,12H2,1-4H3.
What are the key properties of 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol?
2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 83088538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).