2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol

C15H21N3O2 — CID 27019

IUPAC2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol
SMILESCc1cc(OCCN(C)CCO)n(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-13-12-15(20-11-9-17(2)8-10-19)18(16-13)14-6-4-3-5-7-14/h3-7,12,19H,8-11H2,1-2H3
InChIKeyAJMCZFKEQAVFPW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.48
Rot. Bonds7

About 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol

2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol (PubChem CID 27019) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol
PubChem CID27019
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol
SMILESCc1cc(OCCN(C)CCO)n(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-13-12-15(20-11-9-17(2)8-10-19)18(16-13)14-6-4-3-5-7-14/h3-7,12,19H,8-11H2,1-2H3
InChIKeyAJMCZFKEQAVFPW-UHFFFAOYSA-N
XLogP1.48
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 6888
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CID 11573971
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CID 11602582
CID 11602582
CID 71449813
CID 71449813
CID 71460635
CID 71460635
CID 71462356
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CID 168279516
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CID 11544226
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CID 71456959
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CID 4678561
CID 4678561

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol (CID 27019) is 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol is Cc1cc(OCCN(C)CCO)n(-c2ccccc2)n1.
What is the InChIKey of 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol?
The InChIKey is AJMCZFKEQAVFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-13-12-15(20-11-9-17(2)8-10-19)18(16-13)14-6-4-3-5-7-14/h3-7,12,19H,8-11H2,1-2H3.
What are the key properties of 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol?
2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]amino]ethanol is sourced from PubChem (CID 27019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).