1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol

C13H13BrN2O — CID 114633293

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
SMILESCn1ncc(Br)c1C1(O)CCc2ccccc21
InChIInChI=1S/C13H13BrN2O/c1-16-12(11(14)8-15-16)13(17)7-6-9-4-2-3-5-10(9)13/h2-5,8,17H,6-7H2,1H3
InChIKeyVBRRTWPIXYMZKS-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.36
Rot. Bonds1

About 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol

1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol (PubChem CID 114633293) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
PubChem CID114633293
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
SMILESCn1ncc(Br)c1C1(O)CCc2ccccc21
InChIInChI=1S/C13H13BrN2O/c1-16-12(11(14)8-15-16)13(17)7-6-9-4-2-3-5-10(9)13/h2-5,8,17H,6-7H2,1H3
InChIKeyVBRRTWPIXYMZKS-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-1-methylpyrazol-5-yl)-1,1-dioxo-2,3-dihydrothiochromen-4-ol
CID 114637424
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
CID 114633294
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
1-(2-propylpyrazol-3-yl)-2,3-dihydroinden-1-ol
CID 63976085
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol
CID 114637980
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
CID 114637212
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
CID 114636063
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
3-(4-bromo-1-methylpyrazol-5-yl)-4-methylthiolan-3-ol
CID 130520171

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol (CID 114633293) is 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol is Cn1ncc(Br)c1C1(O)CCc2ccccc21.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
The InChIKey is VBRRTWPIXYMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-16-12(11(14)8-15-16)13(17)7-6-9-4-2-3-5-10(9)13/h2-5,8,17H,6-7H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol has a molecular weight of 293.16 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114633293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).