2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol

C11H17N5O — CID 122166769

IUPAC2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCc1cc(CNc2ccn(CCO)n2)n(C)n1
InChIInChI=1S/C11H17N5O/c1-9-7-10(15(2)13-9)8-12-11-3-4-16(14-11)5-6-17/h3-4,7,17H,5-6,8H2,1-2H3,(H,12,14)
InChIKeyQGCAWACAACFIEK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.53
Rot. Bonds5

About 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol

2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 122166769) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID122166769
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCc1cc(CNc2ccn(CCO)n2)n(C)n1
InChIInChI=1S/C11H17N5O/c1-9-7-10(15(2)13-9)8-12-11-3-4-16(14-11)5-6-17/h3-4,7,17H,5-6,8H2,1-2H3,(H,12,14)
InChIKeyQGCAWACAACFIEK-UHFFFAOYSA-N
XLogP0.53
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol (CID 122166769) is 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol is Cc1cc(CNc2ccn(CCO)n2)n(C)n1.
What is the InChIKey of 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is QGCAWACAACFIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9-7-10(15(2)13-9)8-12-11-3-4-16(14-11)5-6-17/h3-4,7,17H,5-6,8H2,1-2H3,(H,12,14).
What are the key properties of 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122166769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).