(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol

C11H9BrF2N2O — CID 114643211

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H9BrF2N2O/c1-16-10(9(12)5-15-16)11(17)6-2-7(13)4-8(14)3-6/h2-5,11,17H,1H3
InChIKeyUJPXTHLPAMSBJO-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.54
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol (PubChem CID 114643211) has the molecular formula C11H9BrF2N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
PubChem CID114643211
Molecular FormulaC11H9BrF2N2O
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
SMILESCn1ncc(Br)c1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H9BrF2N2O/c1-16-10(9(12)5-15-16)11(17)6-2-7(13)4-8(14)3-6/h2-5,11,17H,1H3
InChIKeyUJPXTHLPAMSBJO-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114637474
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
CID 105132514

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol (CID 114643211) is (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol is Cn1ncc(Br)c1C(O)c1cc(F)cc(F)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
The InChIKey is UJPXTHLPAMSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O/c1-16-10(9(12)5-15-16)11(17)6-2-7(13)4-8(14)3-6/h2-5,11,17H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol has a molecular weight of 303.11 g/mol, XLogP of 2.54, 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)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 114643211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).