2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol

C14H23N5O — CID 2755337

IUPAC2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol
SMILESCc1cc(C)n(CN(CCO)Cn2nc(C)cc2C)n1
InChIInChI=1S/C14H23N5O/c1-11-7-13(3)18(15-11)9-17(5-6-20)10-19-14(4)8-12(2)16-19/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyZHGCYFVHHLQKKA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.22
Rot. Bonds6

About 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol

2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol (PubChem CID 2755337) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol
PubChem CID2755337
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol
SMILESCc1cc(C)n(CN(CCO)Cn2nc(C)cc2C)n1
InChIInChI=1S/C14H23N5O/c1-11-7-13(3)18(15-11)9-17(5-6-20)10-19-14(4)8-12(2)16-19/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyZHGCYFVHHLQKKA-UHFFFAOYSA-N
XLogP1.22
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol?
The IUPAC name of 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol (CID 2755337) is 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol is Cc1cc(C)n(CN(CCO)Cn2nc(C)cc2C)n1.
What is the InChIKey of 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol?
The InChIKey is ZHGCYFVHHLQKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-7-13(3)18(15-11)9-17(5-6-20)10-19-14(4)8-12(2)16-19/h7-8,20H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol?
2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol has a molecular weight of 277.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(3,5-dimethylpyrazol-1-yl)methyl]amino]ethanol is sourced from PubChem (CID 2755337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).