2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol

C10H21N5O — CID 23496382

IUPAC2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol
SMILESCC(C)(C)n1nc(CNCCO)c(N)c1N
InChIInChI=1S/C10H21N5O/c1-10(2,3)15-9(12)8(11)7(14-15)6-13-4-5-16/h13,16H,4-6,11-12H2,1-3H3
InChIKeyITUQQKZMCZEXRT-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.12
Rot. Bonds4

About 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol

2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol (PubChem CID 23496382) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol
PubChem CID23496382
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol
SMILESCC(C)(C)n1nc(CNCCO)c(N)c1N
InChIInChI=1S/C10H21N5O/c1-10(2,3)15-9(12)8(11)7(14-15)6-13-4-5-16/h13,16H,4-6,11-12H2,1-3H3
InChIKeyITUQQKZMCZEXRT-UHFFFAOYSA-N
XLogP-0.12
TPSA102.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol 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 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol (CID 23496382) is 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol is CC(C)(C)n1nc(CNCCO)c(N)c1N.
What is the InChIKey of 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol?
The InChIKey is ITUQQKZMCZEXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-10(2,3)15-9(12)8(11)7(14-15)6-13-4-5-16/h13,16H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol?
2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol has a molecular weight of 227.31 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diamino-1-tert-butylpyrazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 23496382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).