2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol

C13H25N3O — CID 110905500

IUPAC2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
SMILESCCCCCNCc1c(C)nn(CCO)c1C
InChIInChI=1S/C13H25N3O/c1-4-5-6-7-14-10-13-11(2)15-16(8-9-17)12(13)3/h14,17H,4-10H2,1-3H3
InChIKeyDBUTVUQYFSFMGL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.77
Rot. Bonds8

About 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110905500) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID110905500
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
SMILESCCCCCNCc1c(C)nn(CCO)c1C
InChIInChI=1S/C13H25N3O/c1-4-5-6-7-14-10-13-11(2)15-16(8-9-17)12(13)3/h14,17H,4-10H2,1-3H3
InChIKeyDBUTVUQYFSFMGL-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol (CID 110905500) is 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol is CCCCCNCc1c(C)nn(CCO)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is DBUTVUQYFSFMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-5-6-7-14-10-13-11(2)15-16(8-9-17)12(13)3/h14,17H,4-10H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).