(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol

C12H12BrFN2O — CID 115839156

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2c(Br)cnn2C)c(F)c1
InChIInChI=1S/C12H12BrFN2O/c1-7-3-4-8(10(14)5-7)12(17)11-9(13)6-15-16(11)2/h3-6,12,17H,1-2H3
InChIKeyYLRKRCFBXCORQP-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.71
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol (PubChem CID 115839156) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
PubChem CID115839156
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2c(Br)cnn2C)c(F)c1
InChIInChI=1S/C12H12BrFN2O/c1-7-3-4-8(10(14)5-7)12(17)11-9(13)6-15-16(11)2/h3-6,12,17H,1-2H3
InChIKeyYLRKRCFBXCORQP-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 105042180
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol (CID 115839156) is (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2c(Br)cnn2C)c(F)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol?
The InChIKey is YLRKRCFBXCORQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-7-3-4-8(10(14)5-7)12(17)11-9(13)6-15-16(11)2/h3-6,12,17H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol has a molecular weight of 299.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 115839156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).