2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol

C11H17N5O — CID 122166813

IUPAC2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCCn1cc(CNc2cnn(CCO)c2)cn1
InChIInChI=1S/C11H17N5O/c1-2-15-8-10(6-13-15)5-12-11-7-14-16(9-11)3-4-17/h6-9,12,17H,2-5H2,1H3
InChIKeyYVPAIUYBHITUMV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.70
Rot. Bonds6

About 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 122166813) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID122166813
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCCn1cc(CNc2cnn(CCO)c2)cn1
InChIInChI=1S/C11H17N5O/c1-2-15-8-10(6-13-15)5-12-11-7-14-16(9-11)3-4-17/h6-9,12,17H,2-5H2,1H3
InChIKeyYVPAIUYBHITUMV-UHFFFAOYSA-N
XLogP0.70
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol (CID 122166813) is 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol is CCn1cc(CNc2cnn(CCO)c2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is YVPAIUYBHITUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-15-8-10(6-13-15)5-12-11-7-14-16(9-11)3-4-17/h6-9,12,17H,2-5H2,1H3.
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122166813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).