1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol

C11H21N3O — CID 66037279

IUPAC1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNC(C)(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-10(2,3)12-8-11(4,15)9-6-13-14(5)7-9/h6-7,12,15H,8H2,1-5H3
InChIKeyJEPQIBJDFJGDLE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.02
Rot. Bonds3

About 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol

1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 66037279) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID66037279
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNC(C)(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-10(2,3)12-8-11(4,15)9-6-13-14(5)7-9/h6-7,12,15H,8H2,1-5H3
InChIKeyJEPQIBJDFJGDLE-UHFFFAOYSA-N
XLogP1.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 66037279) is 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CNC(C)(C)C)cn1.
What is the InChIKey of 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is JEPQIBJDFJGDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2,3)12-8-11(4,15)9-6-13-14(5)7-9/h6-7,12,15H,8H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 66037279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).