5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol

C19H33N5O — CID 57461416

IUPAC5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol
SMILESCc1cc(C)n(CCN(CCCCCO)CCn2nc(C)cc2C)n1
InChIInChI=1S/C19H33N5O/c1-16-14-18(3)23(20-16)11-9-22(8-6-5-7-13-25)10-12-24-19(4)15-17(2)21-24/h14-15,25H,5-13H2,1-4H3
InChIKeyISHQKBPXAZQNRQ-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.48
Rot. Bonds11

About 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol

5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol (PubChem CID 57461416) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol
PubChem CID57461416
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol
SMILESCc1cc(C)n(CCN(CCCCCO)CCn2nc(C)cc2C)n1
InChIInChI=1S/C19H33N5O/c1-16-14-18(3)23(20-16)11-9-22(8-6-5-7-13-25)10-12-24-19(4)15-17(2)21-24/h14-15,25H,5-13H2,1-4H3
InChIKeyISHQKBPXAZQNRQ-UHFFFAOYSA-N
XLogP2.48
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-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 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol (CID 57461416) is 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol is Cc1cc(C)n(CCN(CCCCCO)CCn2nc(C)cc2C)n1.
What is the InChIKey of 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol?
The InChIKey is ISHQKBPXAZQNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16-14-18(3)23(20-16)11-9-22(8-6-5-7-13-25)10-12-24-19(4)15-17(2)21-24/h14-15,25H,5-13H2,1-4H3.
What are the key properties of 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol?
5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol has a molecular weight of 347.51 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 57461416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).