2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol

C14H18BrN3O — CID 110011576

IUPAC2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol
SMILESCc1cc(C(C)Nc2cnn(CCO)c2)ccc1Br
InChIInChI=1S/C14H18BrN3O/c1-10-7-12(3-4-14(10)15)11(2)17-13-8-16-18(9-13)5-6-19/h3-4,7-9,11,17,19H,5-6H2,1-2H3
InChIKeyNIDHSUKWWPEERT-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.12
Rot. Bonds5

About 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol

2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol (PubChem CID 110011576) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol
PubChem CID110011576
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol
SMILESCc1cc(C(C)Nc2cnn(CCO)c2)ccc1Br
InChIInChI=1S/C14H18BrN3O/c1-10-7-12(3-4-14(10)15)11(2)17-13-8-16-18(9-13)5-6-19/h3-4,7-9,11,17,19H,5-6H2,1-2H3
InChIKeyNIDHSUKWWPEERT-UHFFFAOYSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol (CID 110011576) is 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol is Cc1cc(C(C)Nc2cnn(CCO)c2)ccc1Br.
What is the InChIKey of 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol?
The InChIKey is NIDHSUKWWPEERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10-7-12(3-4-14(10)15)11(2)17-13-8-16-18(9-13)5-6-19/h3-4,7-9,11,17,19H,5-6H2,1-2H3.
What are the key properties of 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol?
2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol has a molecular weight of 324.22 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110011576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).