5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

C16H17FN4O — CID 118864294

IUPAC5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCOc1cc(F)ccc1-c1cnn(Cc2cc(C)nn2C)c1
InChIInChI=1S/C16H17FN4O/c1-11-6-14(20(2)19-11)10-21-9-12(8-18-21)15-5-4-13(17)7-16(15)22-3/h4-9H,10H2,1-3H3
InChIKeyUYFOFEJPPDSOCE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.79
Rot. Bonds4

About 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 118864294) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
PubChem CID118864294
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCOc1cc(F)ccc1-c1cnn(Cc2cc(C)nn2C)c1
InChIInChI=1S/C16H17FN4O/c1-11-6-14(20(2)19-11)10-21-9-12(8-18-21)15-5-4-13(17)7-16(15)22-3/h4-9H,10H2,1-3H3
InChIKeyUYFOFEJPPDSOCE-UHFFFAOYSA-N
XLogP2.79
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (CID 118864294) is 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is COc1cc(F)ccc1-c1cnn(Cc2cc(C)nn2C)c1.
What is the InChIKey of 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The InChIKey is UYFOFEJPPDSOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11-6-14(20(2)19-11)10-21-9-12(8-18-21)15-5-4-13(17)7-16(15)22-3/h4-9H,10H2,1-3H3.
What are the key properties of 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 300.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 118864294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).