5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole

C13H11FN4O — CID 70496876

IUPAC5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole
SMILESCOc1ccc(F)cc1-c1[nH]ncc1-n1cccn1
InChIInChI=1S/C13H11FN4O/c1-19-12-4-3-9(14)7-10(12)13-11(8-15-17-13)18-6-2-5-16-18/h2-8H,1H3,(H,15,17)
InChIKeyUGDZMVIOUYYVCQ-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.41
Rot. Bonds3

About 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole

5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole (PubChem CID 70496876) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole
PubChem CID70496876
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole
SMILESCOc1ccc(F)cc1-c1[nH]ncc1-n1cccn1
InChIInChI=1S/C13H11FN4O/c1-19-12-4-3-9(14)7-10(12)13-11(8-15-17-13)18-6-2-5-16-18/h2-8H,1H3,(H,15,17)
InChIKeyUGDZMVIOUYYVCQ-UHFFFAOYSA-N
XLogP2.41
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole (CID 70496876) is 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole is COc1ccc(F)cc1-c1[nH]ncc1-n1cccn1.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole?
The InChIKey is UGDZMVIOUYYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-19-12-4-3-9(14)7-10(12)13-11(8-15-17-13)18-6-2-5-16-18/h2-8H,1H3,(H,15,17).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole?
5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole has a molecular weight of 258.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-4-pyrazol-1-yl-1H-pyrazole is sourced from PubChem (CID 70496876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).