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

C16H14FN3O — CID 22574546

IUPAC(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol
SMILESCc1[nH]nc(C(O)c2cccc(F)c2)c1-c1ccncc1
InChIInChI=1S/C16H14FN3O/c1-10-14(11-5-7-18-8-6-11)15(20-19-10)16(21)12-3-2-4-13(17)9-12/h2-9,16,21H,1H3,(H,19,20)
InChIKeyJRBYBBUUDDFJBU-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.00
Rot. Bonds3

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

(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol (PubChem CID 22574546) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol
PubChem CID22574546
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol
SMILESCc1[nH]nc(C(O)c2cccc(F)c2)c1-c1ccncc1
InChIInChI=1S/C16H14FN3O/c1-10-14(11-5-7-18-8-6-11)15(20-19-10)16(21)12-3-2-4-13(17)9-12/h2-9,16,21H,1H3,(H,19,20)
InChIKeyJRBYBBUUDDFJBU-UHFFFAOYSA-N
XLogP3.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol (CID 22574546) is (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol is Cc1[nH]nc(C(O)c2cccc(F)c2)c1-c1ccncc1.
What is the InChIKey of (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol?
The InChIKey is JRBYBBUUDDFJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-14(11-5-7-18-8-6-11)15(20-19-10)16(21)12-3-2-4-13(17)9-12/h2-9,16,21H,1H3,(H,19,20).
What are the key properties of (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol?
(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol has a molecular weight of 283.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol is sourced from PubChem (CID 22574546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).