N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide

C16H20BrN3O3 — CID 2962055

IUPACN-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C16H20BrN3O3/c1-10-16(17)11(2)20(19-10)8-14(22)9-23-15-6-4-13(5-7-15)18-12(3)21/h4-7,14,22H,8-9H2,1-3H3,(H,18,21)
InChIKeyGILZWWFRXVLQSL-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.66
Rot. Bonds6

About N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 2962055) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID2962055
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC NameN-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C16H20BrN3O3/c1-10-16(17)11(2)20(19-10)8-14(22)9-23-15-6-4-13(5-7-15)18-12(3)21/h4-7,14,22H,8-9H2,1-3H3,(H,18,21)
InChIKeyGILZWWFRXVLQSL-UHFFFAOYSA-N
XLogP2.66
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
1-(3,5-Dimethylpyrazolyl)-3-(2-bromophenoxy)propan-2-ol
CID 3844024
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
N-{4-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962056
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
N-{4-[2-hydroxy-3-(1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 6499769
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 22331396
1-(3,5-Dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone
CID 676027
Dalbraminol
CID 205958
1-(3,5-Dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 2884455
Cambridge id 7129507
CID 2927834
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 2962055) is N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(Br)c2C)cc1.
What is the InChIKey of N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is GILZWWFRXVLQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-10-16(17)11(2)20(19-10)8-14(22)9-23-15-6-4-13(5-7-15)18-12(3)21/h4-7,14,22H,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 382.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 2962055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).