2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol

C10H17BrN2O2 — CID 79450163

IUPAC2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
SMILESCCn1nc(C)c(Br)c1CC(CO)CO
InChIInChI=1S/C10H17BrN2O2/c1-3-13-9(4-8(5-14)6-15)10(11)7(2)12-13/h8,14-15H,3-6H2,1-2H3
InChIKeyHYOPGIAKCYIGCV-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.12
Rot. Bonds5

About 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol (PubChem CID 79450163) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
PubChem CID79450163
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
SMILESCCn1nc(C)c(Br)c1CC(CO)CO
InChIInChI=1S/C10H17BrN2O2/c1-3-13-9(4-8(5-14)6-15)10(11)7(2)12-13/h8,14-15H,3-6H2,1-2H3
InChIKeyHYOPGIAKCYIGCV-UHFFFAOYSA-N
XLogP1.12
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037857
4-bromo-5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66033406
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79438552
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-piperidin-4-ylethanol
CID 80560441
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
CID 102924052
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105107249
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol (CID 79450163) is 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol is CCn1nc(C)c(Br)c1CC(CO)CO.
What is the InChIKey of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol?
The InChIKey is HYOPGIAKCYIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-3-13-9(4-8(5-14)6-15)10(11)7(2)12-13/h8,14-15H,3-6H2,1-2H3.
What are the key properties of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol?
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol has a molecular weight of 277.16 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79450163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).