1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol

C13H26N4O — CID 55007027

IUPAC1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
SMILESCC(N(C)CC(O)Cn1cc(N)cn1)C(C)(C)C
InChIInChI=1S/C13H26N4O/c1-10(13(2,3)4)16(5)8-12(18)9-17-7-11(14)6-15-17/h6-7,10,12,18H,8-9,14H2,1-5H3
InChIKeyATZPLEAUJKPEJZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.19
Rot. Bonds5

About 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol (PubChem CID 55007027) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
PubChem CID55007027
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
SMILESCC(N(C)CC(O)Cn1cc(N)cn1)C(C)(C)C
InChIInChI=1S/C13H26N4O/c1-10(13(2,3)4)16(5)8-12(18)9-17-7-11(14)6-15-17/h6-7,10,12,18H,8-9,14H2,1-5H3
InChIKeyATZPLEAUJKPEJZ-UHFFFAOYSA-N
XLogP1.19
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol (CID 55007027) is 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol is CC(N(C)CC(O)Cn1cc(N)cn1)C(C)(C)C.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol?
The InChIKey is ATZPLEAUJKPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(13(2,3)4)16(5)8-12(18)9-17-7-11(14)6-15-17/h6-7,10,12,18H,8-9,14H2,1-5H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol has a molecular weight of 254.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol is sourced from PubChem (CID 55007027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).