(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol

C10H9BrFN3O — CID 114645155

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccncc1F
InChIInChI=1S/C10H9BrFN3O/c1-15-9(7(11)4-14-15)10(16)6-2-3-13-5-8(6)12/h2-5,10,16H,1H3
InChIKeyIPGZENNQHKZKEI-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.80
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 114645155) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID114645155
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ccncc1F
InChIInChI=1S/C10H9BrFN3O/c1-15-9(7(11)4-14-15)10(16)6-2-3-13-5-8(6)12/h2-5,10,16H,1H3
InChIKeyIPGZENNQHKZKEI-UHFFFAOYSA-N
XLogP1.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-(3,5-difluorophenyl)methanol
CID 114643211
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
CID 105132487
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
CID 104737732
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
CID 114634352
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066445
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol (CID 114645155) is (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol is Cn1ncc(Br)c1C(O)c1ccncc1F.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is IPGZENNQHKZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-15-9(7(11)4-14-15)10(16)6-2-3-13-5-8(6)12/h2-5,10,16H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 286.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 114645155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).