[2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol

C16H16BrFN4O — CID 164718744

IUPAC[2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
SMILESCc1cc(Cc2c(Br)cnn2C)n(-c2ccc(F)cc2CO)n1
InChIInChI=1S/C16H16BrFN4O/c1-10-5-13(7-16-14(17)8-19-21(16)2)22(20-10)15-4-3-12(18)6-11(15)9-23/h3-6,8,23H,7,9H2,1-2H3
InChIKeyHCAMYKHMFFJOCY-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.90
Rot. Bonds4

About [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol

[2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol (PubChem CID 164718744) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
PubChem CID164718744
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC Name[2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol
SMILESCc1cc(Cc2c(Br)cnn2C)n(-c2ccc(F)cc2CO)n1
InChIInChI=1S/C16H16BrFN4O/c1-10-5-13(7-16-14(17)8-19-21(16)2)22(20-10)15-4-3-12(18)6-11(15)9-23/h3-6,8,23H,7,9H2,1-2H3
InChIKeyHCAMYKHMFFJOCY-UHFFFAOYSA-N
XLogP2.90
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol (CID 164718744) is [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol is Cc1cc(Cc2c(Br)cnn2C)n(-c2ccc(F)cc2CO)n1.
What is the InChIKey of [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
The InChIKey is HCAMYKHMFFJOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c1-10-5-13(7-16-14(17)8-19-21(16)2)22(20-10)15-4-3-12(18)6-11(15)9-23/h3-6,8,23H,7,9H2,1-2H3.
What are the key properties of [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol?
[2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol has a molecular weight of 379.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 164718744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).