4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol

C10H11BrN2O — CID 125492682

IUPAC4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCC1=NN[C@@H](c2cc(Br)ccc2O)C1
InChIInChI=1S/C10H11BrN2O/c1-6-4-9(13-12-6)8-5-7(11)2-3-10(8)14/h2-3,5,9,13-14H,4H2,1H3/t9-/m1/s1
InChIKeyCTQOKZIASHJHKL-SECBINFHSA-N
MW255.11 g/mol
LogP2.57
Rot. Bonds1

About 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol

4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 125492682) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID125492682
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCC1=NN[C@@H](c2cc(Br)ccc2O)C1
InChIInChI=1S/C10H11BrN2O/c1-6-4-9(13-12-6)8-5-7(11)2-3-10(8)14/h2-3,5,9,13-14H,4H2,1H3/t9-/m1/s1
InChIKeyCTQOKZIASHJHKL-SECBINFHSA-N
XLogP2.57
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 23090734
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 125492682) is 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol is CC1=NN[C@@H](c2cc(Br)ccc2O)C1.
What is the InChIKey of 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is CTQOKZIASHJHKL-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6-4-9(13-12-6)8-5-7(11)2-3-10(8)14/h2-3,5,9,13-14H,4H2,1H3/t9-/m1/s1.
What are the key properties of 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol?
4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 255.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5R)-3-methyl-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 125492682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).