5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol

C10H9BrN2O2 — CID 117232577

IUPAC5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
SMILESOc1cccc(Cn2ncc(O)c2Br)c1
InChIInChI=1S/C10H9BrN2O2/c11-10-9(15)5-12-13(10)6-7-2-1-3-8(14)4-7/h1-5,14-15H,6H2
InChIKeyROBDFCQTBYTMTQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.11
Rot. Bonds2

About 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol

5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol (PubChem CID 117232577) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
PubChem CID117232577
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
SMILESOc1cccc(Cn2ncc(O)c2Br)c1
InChIInChI=1S/C10H9BrN2O2/c11-10-9(15)5-12-13(10)6-7-2-1-3-8(14)4-7/h1-5,14-15H,6H2
InChIKeyROBDFCQTBYTMTQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
CID 117232569
3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
CID 115069565
5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol
CID 117233253
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
1-[(3-bromophenyl)methyl]-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437526
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol?
The IUPAC name of 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol (CID 117232577) is 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol is Oc1cccc(Cn2ncc(O)c2Br)c1.
What is the InChIKey of 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol?
The InChIKey is ROBDFCQTBYTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-10-9(15)5-12-13(10)6-7-2-1-3-8(14)4-7/h1-5,14-15H,6H2.
What are the key properties of 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol?
5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol has a molecular weight of 269.10 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 117232577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).