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

C8H16N4O — CID 43554227

IUPAC3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol
SMILESCc1nn(C)c(NCCCO)c1N
InChIInChI=1S/C8H16N4O/c1-6-7(9)8(12(2)11-6)10-4-3-5-13/h10,13H,3-5,9H2,1-2H3
InChIKeyZWVDWEGHWKIOBJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.11
Rot. Bonds4

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

3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol (PubChem CID 43554227) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol
PubChem CID43554227
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol
SMILESCc1nn(C)c(NCCCO)c1N
InChIInChI=1S/C8H16N4O/c1-6-7(9)8(12(2)11-6)10-4-3-5-13/h10,13H,3-5,9H2,1-2H3
InChIKeyZWVDWEGHWKIOBJ-UHFFFAOYSA-N
XLogP0.11
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-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 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol (CID 43554227) is 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol is Cc1nn(C)c(NCCCO)c1N.
What is the InChIKey of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol?
The InChIKey is ZWVDWEGHWKIOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6-7(9)8(12(2)11-6)10-4-3-5-13/h10,13H,3-5,9H2,1-2H3.
What are the key properties of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol?
3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 43554227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).