[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol

C17H15BrN2O2 — CID 21418305

IUPAC[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol
SMILESCOc1cccc(-c2ccc(-n3ncc(CO)c3Br)cc2)c1
InChIInChI=1S/C17H15BrN2O2/c1-22-16-4-2-3-13(9-16)12-5-7-15(8-6-12)20-17(18)14(11-21)10-19-20/h2-10,21H,11H2,1H3
InChIKeyGCIXDQAJBFQPDE-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.80
Rot. Bonds4

About [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol

[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 21418305) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol
PubChem CID21418305
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol
SMILESCOc1cccc(-c2ccc(-n3ncc(CO)c3Br)cc2)c1
InChIInChI=1S/C17H15BrN2O2/c1-22-16-4-2-3-13(9-16)12-5-7-15(8-6-12)20-17(18)14(11-21)10-19-20/h2-10,21H,11H2,1H3
InChIKeyGCIXDQAJBFQPDE-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
CID 115069112
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
1-[[1-[4-(4-fluorophenyl)phenyl]-5-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ylpiperidine
CID 69361414
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
CID 90030830

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol (CID 21418305) is [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol is COc1cccc(-c2ccc(-n3ncc(CO)c3Br)cc2)c1.
What is the InChIKey of [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is GCIXDQAJBFQPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-22-16-4-2-3-13(9-16)12-5-7-15(8-6-12)20-17(18)14(11-21)10-19-20/h2-10,21H,11H2,1H3.
What are the key properties of [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol?
[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 359.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 21418305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).