(3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol

C16H14FN3O — CID 22574551

IUPAC(3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol
SMILESCn1cc(-c2ccncc2)c(C(O)c2cccc(F)c2)n1
InChIInChI=1S/C16H14FN3O/c1-20-10-14(11-5-7-18-8-6-11)15(19-20)16(21)12-3-2-4-13(17)9-12/h2-10,16,21H,1H3
InChIKeyWNCPGUSSCBJYLN-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.70
Rot. Bonds3

About (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol

(3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol (PubChem CID 22574551) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol
PubChem CID22574551
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol
SMILESCn1cc(-c2ccncc2)c(C(O)c2cccc(F)c2)n1
InChIInChI=1S/C16H14FN3O/c1-20-10-14(11-5-7-18-8-6-11)15(19-20)16(21)12-3-2-4-13(17)9-12/h2-10,16,21H,1H3
InChIKeyWNCPGUSSCBJYLN-UHFFFAOYSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol (CID 22574551) is (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol is Cn1cc(-c2ccncc2)c(C(O)c2cccc(F)c2)n1.
What is the InChIKey of (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol?
The InChIKey is WNCPGUSSCBJYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20-10-14(11-5-7-18-8-6-11)15(19-20)16(21)12-3-2-4-13(17)9-12/h2-10,16,21H,1H3.
What are the key properties of (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol?
(3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol has a molecular weight of 283.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol is sourced from PubChem (CID 22574551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).