1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol

C14H28N4O2 — CID 63945455

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CCCO)C(C)C)c(C)c1N
InChIInChI=1S/C14H28N4O2/c1-10(2)17(6-5-7-19)8-13(20)9-18-12(4)14(15)11(3)16-18/h10,13,19-20H,5-9,15H2,1-4H3
InChIKeyAWBQHLFDWAKURI-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.54
Rot. Bonds8

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol (PubChem CID 63945455) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol
PubChem CID63945455
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CCCO)C(C)C)c(C)c1N
InChIInChI=1S/C14H28N4O2/c1-10(2)17(6-5-7-19)8-13(20)9-18-12(4)14(15)11(3)16-18/h10,13,19-20H,5-9,15H2,1-4H3
InChIKeyAWBQHLFDWAKURI-UHFFFAOYSA-N
XLogP0.54
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol (CID 63945455) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol is Cc1nn(CC(O)CN(CCCO)C(C)C)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is AWBQHLFDWAKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-10(2)17(6-5-7-19)8-13(20)9-18-12(4)14(15)11(3)16-18/h10,13,19-20H,5-9,15H2,1-4H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 63945455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).