(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol

C15H12FN3O — CID 22574511

IUPAC(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol
SMILESOC(c1cccc(F)c1)c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-2-11(8-12)15(20)14-13(9-18-19-14)10-4-6-17-7-5-10/h1-9,15,20H,(H,18,19)
InChIKeyCNCCMYPFRIYMAN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.69
Rot. Bonds3

About (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol

(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol (PubChem CID 22574511) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol
PubChem CID22574511
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol
SMILESOC(c1cccc(F)c1)c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-2-11(8-12)15(20)14-13(9-18-19-14)10-4-6-17-7-5-10/h1-9,15,20H,(H,18,19)
InChIKeyCNCCMYPFRIYMAN-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol (CID 22574511) is (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol is OC(c1cccc(F)c1)c1[nH]ncc1-c1ccncc1.
What is the InChIKey of (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol?
The InChIKey is CNCCMYPFRIYMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-1-2-11(8-12)15(20)14-13(9-18-19-14)10-4-6-17-7-5-10/h1-9,15,20H,(H,18,19).
What are the key properties of (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol?
(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol has a molecular weight of 269.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 22574511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).