2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone

C15H19N3O2 — CID 170711377

IUPAC2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CN(CCO)Cc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2/c1-17-11-14(9-16-17)15(20)12-18(7-8-19)10-13-5-3-2-4-6-13/h2-6,9,11,19H,7-8,10,12H2,1H3
InChIKeyBYLSCLAEBMSXFF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.10
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone

2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 170711377) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID170711377
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CN(CCO)Cc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2/c1-17-11-14(9-16-17)15(20)12-18(7-8-19)10-13-5-3-2-4-6-13/h2-6,9,11,19H,7-8,10,12H2,1H3
InChIKeyBYLSCLAEBMSXFF-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-[2-[benzyl(2-hydroxyethyl)amino]acetyl]pyrazol-1-yl]methyl]phenyl]-1-(1-benzylpyrazol-4-yl)ethanone
CID 166122307
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
CID 166121417
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195914
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone (CID 170711377) is 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CN(CCO)Cc2ccccc2)cn1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is BYLSCLAEBMSXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-11-14(9-16-17)15(20)12-18(7-8-19)10-13-5-3-2-4-6-13/h2-6,9,11,19H,7-8,10,12H2,1H3.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone?
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 170711377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).