2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol

C15H21N5O — CID 21222910

IUPAC2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol
SMILES[H]/N=C1C(=N/c2ccc(N(CC)CC)cc2)/C=NN/1CCO
InChIInChI=1S/C15H21N5O/c1-3-19(4-2)13-7-5-12(6-8-13)18-14-11-17-20(9-10-21)15(14)16/h5-8,11,16,21H,3-4,9-10H2,1-2H3/b16-15-,18-14+
InChIKeyQCNDTOCXFCIOJI-ATFLVQHBSA-N
MW287.37 g/mol
LogP1.88
Rot. Bonds6

About 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol

2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol (PubChem CID 21222910) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol
PubChem CID21222910
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol
SMILES[H]/N=C1C(=N/c2ccc(N(CC)CC)cc2)/C=NN/1CCO
InChIInChI=1S/C15H21N5O/c1-3-19(4-2)13-7-5-12(6-8-13)18-14-11-17-20(9-10-21)15(14)16/h5-8,11,16,21H,3-4,9-10H2,1-2H3/b16-15-,18-14+
InChIKeyQCNDTOCXFCIOJI-ATFLVQHBSA-N
XLogP1.88
TPSA75.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]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-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol (CID 21222910) is 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol is [H]/N=C1C(=N/c2ccc(N(CC)CC)cc2)/C=NN/1CCO.
What is the InChIKey of 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol?
The InChIKey is QCNDTOCXFCIOJI-ATFLVQHBSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-19(4-2)13-7-5-12(6-8-13)18-14-11-17-20(9-10-21)15(14)16/h5-8,11,16,21H,3-4,9-10H2,1-2H3/b16-15-,18-14+.
What are the key properties of 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol?
2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(diethylamino)phenyl]imino-5-iminopyrazol-1-yl]ethanol is sourced from PubChem (CID 21222910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).