2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol

C13H17N3O — CID 81302041

IUPAC2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
SMILESCC(NCCO)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-11(14-7-8-17)12-9-15-16(10-12)13-5-3-2-4-6-13/h2-6,9-11,14,17H,7-8H2,1H3
InChIKeySSQCLXSPYDSCSC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.52
Rot. Bonds5

About 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol

2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol (PubChem CID 81302041) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
PubChem CID81302041
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
SMILESCC(NCCO)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-11(14-7-8-17)12-9-15-16(10-12)13-5-3-2-4-6-13/h2-6,9-11,14,17H,7-8H2,1H3
InChIKeySSQCLXSPYDSCSC-UHFFFAOYSA-N
XLogP1.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol (CID 81302041) is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol is CC(NCCO)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol?
The InChIKey is SSQCLXSPYDSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(14-7-8-17)12-9-15-16(10-12)13-5-3-2-4-6-13/h2-6,9-11,14,17H,7-8H2,1H3.
What are the key properties of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol?
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol is sourced from PubChem (CID 81302041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).