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

C14H23N5O — CID 2755571

IUPAC2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(CCO)Cc2cc(C)n(C)n2)nn1C
InChIInChI=1S/C14H23N5O/c1-11-7-13(15-17(11)3)9-19(5-6-20)10-14-8-12(2)18(4)16-14/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyOMKSTRPFHOHDTN-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.76
Rot. Bonds6

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

2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol (PubChem CID 2755571) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
PubChem CID2755571
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(CCO)Cc2cc(C)n(C)n2)nn1C
InChIInChI=1S/C14H23N5O/c1-11-7-13(15-17(11)3)9-19(5-6-20)10-14-8-12(2)18(4)16-14/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyOMKSTRPFHOHDTN-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol (CID 2755571) is 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol is Cc1cc(CN(CCO)Cc2cc(C)n(C)n2)nn1C.
What is the InChIKey of 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
The InChIKey is OMKSTRPFHOHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-7-13(15-17(11)3)9-19(5-6-20)10-14-8-12(2)18(4)16-14/h7-8,20H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol has a molecular weight of 277.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(1,5-dimethylpyrazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 2755571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).