[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone

C19H14F4N2O2 — CID 121273076

IUPAC[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2C(=O)c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C19H14F4N2O2/c1-9-16(17-14(22)7-11(27-3)8-15(17)23)18(25(2)24-9)19(26)12-5-4-10(20)6-13(12)21/h4-8H,1-3H3
InChIKeyJCSJJVIVERIDRB-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.19
Rot. Bonds4

About [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone

[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone (PubChem CID 121273076) has the molecular formula C19H14F4N2O2 and a molecular weight of 378.33 g/mol. Its IUPAC name is [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone
PubChem CID121273076
Molecular FormulaC19H14F4N2O2
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2C(=O)c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C19H14F4N2O2/c1-9-16(17-14(22)7-11(27-3)8-15(17)23)18(25(2)24-9)19(26)12-5-4-10(20)6-13(12)21/h4-8H,1-3H3
InChIKeyJCSJJVIVERIDRB-UHFFFAOYSA-N
XLogP4.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone (CID 121273076) is [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone is COc1cc(F)c(-c2c(C)nn(C)c2C(=O)c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is JCSJJVIVERIDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2/c1-9-16(17-14(22)7-11(27-3)8-15(17)23)18(25(2)24-9)19(26)12-5-4-10(20)6-13(12)21/h4-8H,1-3H3.
What are the key properties of [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone?
[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 378.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 121273076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).