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

C10H9ClFN3O — CID 105129852

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cncc(F)c1
InChIInChI=1S/C10H9ClFN3O/c1-15-9(8(11)5-14-15)10(16)6-2-7(12)4-13-3-6/h2-5,10,16H,1H3
InChIKeyGCKURTRMFUNZJB-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.69
Rot. Bonds2

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

(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 105129852) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID105129852
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cncc(F)c1
InChIInChI=1S/C10H9ClFN3O/c1-15-9(8(11)5-14-15)10(16)6-2-7(12)4-13-3-6/h2-5,10,16H,1H3
InChIKeyGCKURTRMFUNZJB-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol (CID 105129852) is (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol is Cn1ncc(Cl)c1C(O)c1cncc(F)c1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is GCKURTRMFUNZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-9(8(11)5-14-15)10(16)6-2-7(12)4-13-3-6/h2-5,10,16H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 241.65 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 105129852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).